data_2m9g_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 2m9g _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 ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.022 0.439 . . . . 3.1 111.131 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.439 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 22.8 tt0 -65.13 -19.23 65.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.51 110.471 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.8 -26.0 34.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.302 -0.408 . . . . 2.85 111.111 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.513 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 77.4 mt -82.61 -61.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.924 -0.31 . . . . 1.1 110.643 178.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -67.87 -21.62 65.15 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.433 -0.507 . . . . 2.41 109.834 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.526 ' HA2' ' ND2' ' A' ' 13' ' ' ASN . . . -63.37 -53.86 36.28 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.517 -0.765 . . . . 0.48 112.172 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.14 -36.78 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.089 0.471 . . . . 1.84 110.271 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.4 -50.0 82.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.608 -0.723 . . . . 1.22 112.004 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.526 ' ND2' ' HA2' ' A' ' 10' ' ' GLY . 7.7 p30 -73.26 -23.6 60.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.177 -0.609 . . . . 1.95 110.418 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.3 mt -63.74 -47.32 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 2.55 110.164 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' HD2' ' CD2' ' A' ' 71' ' ' PHE . 28.8 t80 -62.27 -39.68 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.079 0.466 . . . . 3.26 110.0 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -64.55 -26.26 68.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 2.85 111.104 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 3.5 111.948 -176.536 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.78 0.8 . . . . 3.39 110.628 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 m -80.42 -171.72 3.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.156 -0.929 . . . . 1.87 112.087 -174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.2 -23.27 66.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 1.93 111.773 -173.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.96 80.7 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.854 -0.689 . . . . 0.47 112.653 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.12 -39.73 75.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 2.44 110.712 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.7 tp -64.0 -50.15 69.65 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.69 -0.687 . . . . 1.18 110.199 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' A' ' 54' ' ' ILE . 25.8 tptt -51.3 -43.88 61.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 2.4 110.706 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -59.9 -58.56 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 2.62 110.544 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.0 tt -54.26 -45.85 72.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 120.991 0.424 . . . . 1.11 110.732 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.8 mt -63.0 -50.65 69.89 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.613 0.597 . . . . 1.18 112.613 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 t -67.74 -27.67 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.18 -0.208 . . . . 1.64 111.527 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -97.37 -30.5 12.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.199 0.815 . . . . 2.17 113.199 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 26.6 mm-40 -97.17 -49.49 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.427 0.632 . . . . 1.67 110.864 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HG ' HD13 ' B' ' 8' ' ' LEU . 7.8 mp -95.74 18.59 12.74 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.759 -0.655 . . . . 2.07 111.29 -172.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.84 -25.79 21.26 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.323 0.861 . . . . 1.25 113.323 -175.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -109.26 -2.86 17.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 2.69 111.694 -174.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.7 -62.21 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.567 . . . . 1.19 111.053 -170.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 45.4 mt -82.08 138.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.501 -0.772 . . . . 1.14 110.196 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.83 123.05 14.42 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.185 -0.461 . . . . 2.14 109.947 -178.007 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.493 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.7 m120 46.62 43.73 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 1.62 111.74 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.493 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.8 tp -62.43 -4.58 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.927 0.87 . . . . 1.19 110.782 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -80.93 -24.07 38.43 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.402 -0.817 . . . . 1.76 109.581 179.039 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.59 126.99 31.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.715 -1.129 . . . . 1.58 111.087 -176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.38 -25.63 68.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.052 -0.976 . . . . 1.51 110.06 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.37 -36.65 74.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 1.33 109.463 176.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.8 t -72.74 -45.59 56.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.013 -0.994 . . . . 1.23 109.212 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 34' ' ' LYS . 42.6 mt -65.02 -35.0 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.569 -1.196 . . . . 1.1 111.386 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.59 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.9 t70 -62.7 -52.65 62.46 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.814 -0.81 . . . . 1.53 108.814 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 33.2 mm-40 -48.43 -46.45 37.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.524 -1.217 . . . . 1.77 111.616 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 73.5 mt -71.55 -51.65 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 1.62 111.29 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CE1' HG23 ' A' ' 69' ' ' VAL . 78.6 t80 -53.45 -46.97 70.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.916 -0.584 . . . . 2.59 110.325 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 13.7 mm100 -65.89 -27.35 68.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.297 -0.865 . . . . 2.08 110.371 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.79 -26.91 71.77 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.774 -0.648 . . . . 0.56 112.2 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -91.18 -41.54 10.94 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.885 -0.783 . . . . 1.14 108.885 178.331 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -81.2 70.69 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.945 -1.025 . . . . 1.4 110.222 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.19 -16.3 63.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.331 -0.849 . . . . 1.46 109.341 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.74 -20.31 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.705 -1.134 . . . . 3.54 110.201 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 58.64 39.07 24.98 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.162 -0.926 . . . . 3.2 110.393 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -123.35 4.22 9.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 2.13 110.816 -174.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.44 47.69 2.23 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.177 -0.92 . . . . 2.02 110.794 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.36 118.16 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 2.47 111.131 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.458 HG23 ' CE1' ' A' ' 58' ' ' PHE . 34.6 t -107.3 107.43 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.489 0.661 . . . . 2.42 110.473 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.23 174.85 11.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.255 -0.884 . . . . 2.02 109.161 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.425 ' CD2' ' HD2' ' A' ' 15' ' ' PHE . 51.1 m-85 -57.28 -31.09 65.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.392 . . . . 2.97 109.943 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.615 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 63.8 tt0 -72.93 -39.78 65.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.061 0.458 . . . . 2.16 111.311 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -70.87 -30.86 67.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.67 0.748 . . . . 1.99 109.356 176.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.583 ' O ' HG21 ' A' ' 78' ' ' VAL . 74.7 t80 -72.53 -20.63 61.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 2.55 109.581 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.615 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.5 OUTLIER -66.93 -42.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.525 -0.762 . . . . 1.31 109.114 176.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.535 ' O ' HD12 ' A' ' 80' ' ' ILE . 1.4 p -68.79 -27.51 65.95 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.914 -0.584 . . . . 1.27 110.424 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.522 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.7 tm? -61.13 -45.64 93.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.619 -0.511 . . . . 1.78 109.619 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.583 HG21 ' O ' ' A' ' 74' ' ' PHE . 15.9 t -66.44 -26.12 36.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 116.154 -0.475 . . . . 1.15 109.756 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -63.8 -44.9 91.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.243 0.544 . . . . 1.1 110.04 173.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -63.94 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.446 -0.797 . . . . 1.09 110.268 175.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.523 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -76.41 -42.74 43.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.249 -0.887 . . . . 1.0 112.804 -172.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.424 ' HB2' HG12 ' B' ' 75' ' ' ILE . 96.3 mt -64.39 -34.4 78.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 1.1 109.531 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 3.2 tmtp? -64.58 -44.66 89.96 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.257 -0.883 . . . . 2.26 109.288 174.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -63.91 -20.57 65.95 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.878 -0.601 . . . . 1.24 111.292 175.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.03 -55.56 4.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.707 0.262 . . . . 1.1 111.707 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 88' ' ' HIS . 79.5 t60 -80.21 -46.38 16.39 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.637 0.732 . . . . 3.4 110.763 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.571 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.7 t80 -88.11 25.97 1.48 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.778 -1.101 . . . . 2.64 109.24 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.538 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 38.0 t-80 -45.31 6.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.924 1.69 . . . . 4.09 114.795 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.571 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.9 t -66.38 -44.97 81.65 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.071 -0.714 . . . . 1.46 109.071 172.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 . . . . . 0 C--N 1.34 0.194 0 C-N-CA 125.083 1.353 . . . . 4.28 108.93 177.059 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.974 0.416 . . . . 3.1 111.103 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 23.7 tt0 -65.25 -19.28 65.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.702 -0.681 . . . . 2.51 110.43 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -81.79 -25.9 34.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 2.85 111.127 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.523 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 77.3 mt -82.74 -61.32 1.91 Allowed 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.915 -0.314 . . . . 1.1 110.497 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.405 ' HG2' ' HB1' ' A' ' 85' ' ' ALA . 28.6 mt-10 -67.81 -21.8 65.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.492 -0.483 . . . . 2.41 109.942 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.516 ' HA2' ' ND2' ' B' ' 13' ' ' ASN . . . -63.14 -54.21 34.46 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.538 -0.755 . . . . 0.48 112.227 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.77 -37.0 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.156 0.503 . . . . 1.84 110.278 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.43 -49.61 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 1.22 112.141 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.516 ' ND2' ' HA2' ' B' ' 10' ' ' GLY . 7.8 p30 -73.71 -23.34 59.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.185 -0.606 . . . . 1.95 110.263 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.8 mt -63.71 -47.4 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 2.55 110.212 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.419 ' HD2' ' CD2' ' B' ' 71' ' ' PHE . 29.1 t80 -62.38 -39.81 94.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 3.26 109.931 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -64.51 -26.08 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.822 -0.626 . . . . 2.85 111.143 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 3.5 112.001 -176.565 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.2 mt . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.754 0.788 . . . . 3.39 110.61 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.5 m -80.56 -171.7 3.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.228 -0.896 . . . . 1.88 112.076 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -62.21 -22.9 66.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 1.93 111.796 -173.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.67 -48.83 82.72 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.827 -0.702 . . . . 0.46 112.707 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -70.33 -39.43 74.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.46 . . . . 2.43 110.744 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -64.25 -50.21 68.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.663 -0.699 . . . . 1.18 110.056 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' B' ' 54' ' ' ILE . 25.8 tptt -51.2 -43.78 61.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 2.4 110.83 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -59.91 -58.47 8.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.962 -0.563 . . . . 2.62 110.625 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 9.0 tt -54.38 -45.77 72.9 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.983 0.42 . . . . 1.11 110.67 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.8 mt -63.12 -50.64 69.67 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.605 0.595 . . . . 1.18 112.605 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 10.8 t -67.55 -28.07 67.48 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.16 -0.216 . . . . 1.64 111.512 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -97.18 -30.45 13.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.152 0.797 . . . . 2.17 113.152 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 26.5 mm-40 -97.02 -49.67 4.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.438 0.637 . . . . 1.67 110.927 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.451 ' HG ' HD13 ' A' ' 8' ' ' LEU . 7.9 mp -95.86 18.63 12.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.748 -0.66 . . . . 2.07 111.202 -172.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.89 -25.69 21.28 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.353 0.871 . . . . 1.25 113.353 -175.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -109.51 -2.2 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.684 0.278 . . . . 2.69 111.682 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.9 -62.64 1.25 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.336 0.588 . . . . 1.19 110.946 -170.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.508 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 45.0 mt -81.79 138.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.516 -0.765 . . . . 1.13 110.169 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.502 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -58.37 123.3 15.67 Favored 'General case' 0 CA--C 1.521 -0.164 0 O-C-N 123.44 0.463 . . . . 2.14 109.915 -177.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.502 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 14.1 m120 46.64 43.75 12.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 123.838 0.711 . . . . 1.62 111.797 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.508 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.8 tp -62.69 -4.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.97 0.891 . . . . 1.19 110.785 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -80.88 -24.35 38.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.304 -0.862 . . . . 1.76 109.486 178.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.37 127.05 31.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 114.763 -1.108 . . . . 1.59 111.091 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -63.45 -25.46 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 1.5 110.123 176.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.43 -36.54 74.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.412 -0.588 . . . . 1.32 109.412 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.45 ' O ' HG13 ' B' ' 57' ' ' ILE . 22.3 t -72.88 -45.35 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 114.935 -1.029 . . . . 1.23 109.168 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' B' ' 34' ' ' LYS . 42.7 mt -65.17 -35.14 74.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.621 -1.172 . . . . 1.1 111.394 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 15.3 t70 -62.8 -52.59 62.59 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.747 -0.835 . . . . 1.53 108.747 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -48.42 -46.18 37.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.553 -1.203 . . . . 1.77 111.746 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 74.2 mt -71.83 -51.75 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 115.902 -0.59 . . . . 1.62 111.203 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.474 ' CE1' HG23 ' B' ' 69' ' ' VAL . 78.9 t80 -53.34 -47.04 69.69 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.902 -0.59 . . . . 2.59 110.356 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 13.3 mm100 -65.63 -27.6 68.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.237 -0.892 . . . . 2.08 110.506 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.16 -27.76 71.34 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.766 -0.652 . . . . 0.56 112.295 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.4 OUTLIER -90.74 -41.5 11.23 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.825 -0.806 . . . . 1.14 108.825 178.683 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.22 70.82 8.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.982 -1.008 . . . . 1.4 110.37 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.3 -15.8 62.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.22 -0.9 . . . . 1.46 109.509 175.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -73.05 -20.29 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.115 . . . . 3.55 110.287 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 58.2 39.99 25.3 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.036 -0.983 . . . . 3.2 110.242 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.28 4.42 8.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 2.14 110.791 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 65.41 47.77 2.23 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.297 -0.865 . . . . 2.01 110.692 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -140.77 118.14 11.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 2.47 111.162 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.474 HG23 ' CE1' ' B' ' 58' ' ' PHE . 34.8 t -107.18 107.32 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.536 0.684 . . . . 2.42 110.581 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -79.13 174.82 11.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.336 -0.847 . . . . 2.02 109.06 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.419 ' CD2' ' HD2' ' B' ' 15' ' ' PHE . 50.7 m-85 -57.17 -31.01 64.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.874 0.369 . . . . 2.98 110.083 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.605 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 63.9 tt0 -73.07 -39.76 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 2.16 111.281 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.3 mm-40 -70.82 -30.9 67.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.608 0.718 . . . . 1.99 109.325 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.579 ' O ' HG21 ' B' ' 78' ' ' VAL . 74.8 t80 -72.51 -20.47 61.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.668 -0.696 . . . . 2.55 109.64 173.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.605 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.5 OUTLIER -67.0 -41.99 88.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.484 -0.78 . . . . 1.32 109.074 176.673 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.525 ' O ' HD12 ' B' ' 80' ' ' ILE . 1.4 p -68.81 -27.46 65.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.94 -0.573 . . . . 1.28 110.483 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.523 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.6 tm? -61.22 -45.67 93.6 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.578 -0.527 . . . . 1.78 109.578 174.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.579 HG21 ' O ' ' B' ' 74' ' ' PHE . 16.2 t -66.42 -26.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.133 -0.485 . . . . 1.15 109.692 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -63.66 -44.97 92.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.347 0.594 . . . . 1.11 110.147 173.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.525 HD12 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -63.98 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 1.09 110.271 175.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.513 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -76.48 -42.72 42.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.297 -0.865 . . . . 1.0 112.793 -172.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.433 ' HB2' HG12 ' A' ' 75' ' ' ILE . 96.3 mt -64.35 -34.49 78.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.388 0.613 . . . . 1.1 109.451 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -64.43 -44.71 90.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.334 -0.848 . . . . 2.26 109.36 174.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' B' ' 88' ' ' HIS . . . -64.01 -20.4 65.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.825 -0.625 . . . . 1.24 111.28 175.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -79.98 -55.4 4.99 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.808 0.299 . . . . 1.1 111.808 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.409 ' C ' ' H ' ' B' ' 88' ' ' HIS . 79.3 t60 -80.52 -46.35 15.97 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.496 0.665 . . . . 3.39 110.718 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.57 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.6 t80 -88.11 26.12 1.45 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.757 -1.111 . . . . 2.64 109.194 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' B' ' 84' ' ' ALA . 37.6 t-80 -45.35 6.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.876 1.67 . . . . 4.09 114.72 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.57 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -65.93 -45.2 82.7 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.985 -0.746 . . . . 1.47 108.985 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 . . . . . 0 C--N 1.341 0.214 0 C-N-CA 124.987 1.315 . . . . 4.28 108.933 177.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.544 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 7.9 pt-20 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.632 0.253 . . . . 3.1 111.5 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.74 -34.61 39.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.61 0.719 . . . . 2.51 110.626 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.447 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.8 m80 -79.46 -49.13 12.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.617 -0.72 . . . . 2.85 110.34 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' B' ' 81' ' ' ALA . 78.0 mt -60.84 -60.44 3.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.101 -0.499 . . . . 1.1 111.002 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -71.38 -23.01 61.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 2.41 110.375 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.22 -38.22 96.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.502 -0.856 . . . . 0.48 111.877 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 7' ' ' HIS . 79.3 mt -72.34 -42.56 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.212 0.529 . . . . 1.84 109.891 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.7 t -58.79 -37.25 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.238 -0.892 . . . . 1.22 110.756 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 32.8 t30 -61.9 -46.52 89.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 1.95 110.704 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.9 mm -63.9 -34.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 2.55 110.684 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.3 -45.49 84.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.634 0.73 . . . . 3.26 109.413 173.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -68.11 -20.99 64.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.307 -0.86 . . . . 2.85 110.666 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 31.1 mm-40 . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 113.717 1.006 . . . . 3.5 113.717 -174.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 108.906 -0.776 . . . . 3.39 108.906 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 m -97.27 -171.09 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.602 -0.726 . . . . 1.87 112.134 -173.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -55.39 -36.84 66.82 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 112.744 0.646 . . . . 1.93 112.744 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.91 -46.12 94.08 Favored Glycine 0 CA--C 1.512 -0.15 0 C-N-CA 120.701 -0.761 . . . . 0.47 112.733 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.28 -41.04 94.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.351 0.596 . . . . 2.44 110.462 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 19.0 tp -65.04 -49.94 68.16 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.998 . . . . 1.18 109.682 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 77.6 tttt -52.99 -46.46 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.41 -0.814 . . . . 2.4 110.843 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 26.4 tt0 -52.81 -62.08 1.88 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.73 -0.668 . . . . 2.62 110.182 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.91 -49.52 62.88 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.191 0.52 . . . . 1.11 110.881 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.5 mt -60.58 -51.08 70.92 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.912 0.708 . . . . 1.18 112.912 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.403 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 25.3 p -67.61 -28.21 67.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.093 0.405 . . . . 1.64 112.093 -174.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.2 ptmm? -97.3 -32.41 11.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.887 0.699 . . . . 2.17 112.887 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 41.3 mm-40 -101.3 -46.8 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.91 0.386 . . . . 1.67 111.397 -172.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 mt -102.49 25.23 9.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.258 0.551 . . . . 2.07 109.71 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.98 -27.36 30.97 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.741 -1.118 . . . . 1.25 112.803 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.77 -12.73 16.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.98 0.363 . . . . 2.69 111.98 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.543 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.1 m -95.81 -62.89 1.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.515 0.674 . . . . 1.19 110.915 -166.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 55.7 mt -78.4 135.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.92 -1.037 . . . . 1.14 109.718 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.75 23.3 Favored 'General case' 0 CA--C 1.516 -0.343 0 O-C-N 123.354 0.408 . . . . 2.14 110.287 -176.55 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 49' ' ' LYS . 81.8 m-20 43.54 44.63 5.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.874 0.734 . . . . 1.62 112.004 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 9.1 tp -60.84 -5.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.973 0.892 . . . . 1.19 110.85 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 47' ' ' ASN . 11.4 mmmm -85.51 -15.41 42.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.971 -1.013 . . . . 1.76 109.921 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.0 129.72 35.07 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.24 -0.891 . . . . 1.58 110.922 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.6 -27.03 68.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.984 -1.007 . . . . 1.51 110.269 177.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.48 -38.52 74.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.195 -0.669 . . . . 1.33 109.195 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 57' ' ' ILE . 40.3 t -70.59 -44.06 77.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.679 -1.146 . . . . 1.23 109.147 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 39.4 mt -64.47 -37.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 114.716 -1.129 . . . . 1.1 111.394 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 12.6 t70 -63.78 -51.11 66.28 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.798 -0.816 . . . . 1.53 108.798 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -50.11 -44.56 52.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.935 -1.03 . . . . 1.77 111.668 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 69.5 mt -67.86 -58.02 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.3 -0.409 . . . . 1.62 111.241 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CE1' HG21 ' A' ' 69' ' ' VAL . 91.3 t80 -52.85 -46.38 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 2.59 110.853 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 16.1 mm100 -68.12 -25.17 65.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.571 -0.74 . . . . 2.08 110.617 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.63 -26.43 63.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.043 -0.598 . . . . 0.56 112.264 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -91.44 -41.89 10.6 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.458 -0.571 . . . . 1.14 109.458 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.34 74.77 1.01 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.431 -0.804 . . . . 1.4 110.341 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.41 -16.68 61.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.004 -0.998 . . . . 1.46 110.053 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -74.26 -21.18 59.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.446 -0.797 . . . . 3.54 109.999 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 60.4 27.63 17.23 Favored 'General case' 0 CA--C 1.524 -0.046 0 CA-C-N 114.995 -1.002 . . . . 3.2 111.024 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -114.95 9.38 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 2.13 110.301 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 62.0 51.41 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.262 -0.881 . . . . 2.02 110.523 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.8 116.74 11.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 2.47 111.325 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 58' ' ' PHE . 56.0 t -97.6 115.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 2.42 110.874 175.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -91.64 173.08 8.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.837 -0.801 . . . . 2.02 108.837 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -53.77 -38.46 64.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.427 0.558 . . . . 2.97 110.391 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.624 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 20.7 tt0 -64.21 -43.65 94.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 2.16 111.738 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.6 mm-40 -71.57 -36.06 70.78 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.493 0.663 . . . . 1.99 109.503 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.491 ' O ' HG21 ' A' ' 78' ' ' VAL . 49.8 t80 -64.56 -26.86 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.468 -0.787 . . . . 2.55 109.556 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.727 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.7 OUTLIER -63.26 -40.57 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.195 -0.911 . . . . 1.31 109.398 175.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.521 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 23.6 m -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.409 -0.814 . . . . 1.27 109.876 174.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.483 ' N ' HD21 ' A' ' 61' ' ' LEU . 15.5 tp -57.5 -45.91 84.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.621 0.248 . . . . 1.78 110.697 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 74' ' ' PHE . 10.7 t -63.78 -32.29 56.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.644 -0.502 . . . . 1.15 109.644 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -60.11 -49.33 78.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.444 0.64 . . . . 1.1 109.683 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.458 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -43.63 83.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.124 -0.943 . . . . 1.09 110.422 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.51 ' HB2' ' CD1' ' B' ' 8' ' ' LEU . . . -76.02 -29.43 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.589 -173.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 84.5 mt -72.38 -39.25 68.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.956 0.407 . . . . 1.1 110.103 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.715 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 27.9 mmmt -64.44 -38.1 89.86 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.033 -0.729 . . . . 2.26 109.033 171.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . . . -64.14 -22.25 66.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.392 -0.367 . . . . 1.24 111.414 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.29 -53.46 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.953 0.353 . . . . 1.1 111.953 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.485 ' C ' ' H ' ' A' ' 88' ' ' HIS . 43.6 t-80 -85.9 -44.74 12.15 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.275 0.559 . . . . 3.4 110.742 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.591 ' C ' ' H ' ' A' ' 89' ' ' THR . 12.2 t80 -83.39 22.93 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.235 -0.893 . . . . 2.64 109.283 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.485 ' H ' ' C ' ' A' ' 86' ' ' HIS . 1.1 t60 -47.57 17.93 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.777 2.031 . . . . 4.09 114.911 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.591 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.9 t -87.25 -44.81 11.17 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.175 -0.676 . . . . 1.46 109.175 178.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 N--CA 1.465 0.277 0 C-N-CA 124.239 1.016 . . . . 4.28 109.122 174.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.543 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 7.9 pt-20 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.536 0.207 . . . . 3.1 111.482 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -51.61 -34.74 38.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 2.51 110.761 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.446 ' O ' HG13 ' B' ' 11' ' ' ILE . 38.7 m80 -79.23 -49.18 12.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.574 -0.739 . . . . 2.85 110.408 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 78.3 mt -61.08 -60.26 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.559 0.537 . . . . 1.1 110.968 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.52 -22.88 61.72 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.904 -0.589 . . . . 2.41 110.457 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.582 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.23 -38.24 96.16 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.674 -0.774 . . . . 0.48 111.739 175.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 7' ' ' HIS . 79.2 mt -72.43 -42.56 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.171 0.51 . . . . 1.84 109.876 177.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.2 t -58.69 -37.33 65.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 1.22 110.818 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.55 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 32.5 t30 -61.74 -46.61 88.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.95 110.662 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -63.97 -34.11 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 2.55 110.609 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -57.43 -45.12 85.02 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.535 0.683 . . . . 3.26 109.461 173.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.33 -21.09 64.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.322 -0.854 . . . . 2.85 110.686 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 30.9 mm-40 . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 113.572 0.953 . . . . 3.5 113.572 -174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 108.927 -0.768 . . . . 3.39 108.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.6 m -97.26 -171.09 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.623 -0.717 . . . . 1.88 112.15 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -55.42 -37.01 67.11 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.737 0.643 . . . . 1.93 112.737 -169.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -46.78 92.52 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.687 -0.768 . . . . 0.46 112.695 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.89 -41.17 95.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.394 0.616 . . . . 2.43 110.464 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 19.1 tp -65.0 -49.94 68.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.961 -1.018 . . . . 1.18 109.697 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 77.6 tttt -52.79 -46.66 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 2.4 110.824 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 25.9 tt0 -52.8 -61.9 1.99 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.661 -0.699 . . . . 2.62 110.218 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.1 -49.45 63.57 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.122 0.487 . . . . 1.11 110.861 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.5 mt -60.55 -51.07 71.01 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.888 0.699 . . . . 1.18 112.888 -174.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.409 ' O ' ' HB1' ' B' ' 42' ' ' ALA . 25.2 p -67.71 -28.09 67.37 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.96 0.356 . . . . 1.64 111.96 -174.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.2 ptmm? -97.35 -32.42 11.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.967 0.729 . . . . 2.17 112.967 -177.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.449 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 41.4 mm-40 -101.19 -46.81 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.429 . . . . 1.67 111.409 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 mt -102.4 25.29 9.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.323 0.582 . . . . 2.07 109.709 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.479 ' HA ' HG21 ' B' ' 48' ' ' ILE . . . -54.24 -27.16 32.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.752 -1.113 . . . . 1.25 112.741 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -103.89 -12.7 16.72 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.91 0.337 . . . . 2.69 111.91 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.1 m -95.55 -63.11 1.19 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.52 0.676 . . . . 1.19 110.988 -166.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 56.0 mt -78.48 135.27 26.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.873 -1.058 . . . . 1.13 109.615 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.446 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.76 23.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 123.34 0.4 . . . . 2.14 110.35 -176.581 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' B' ' 49' ' ' LYS . 80.2 m-20 43.64 44.77 5.52 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.996 0.81 . . . . 1.62 111.798 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.479 HG21 ' HA ' ' B' ' 42' ' ' ALA . 9.1 tp -60.91 -5.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.994 0.902 . . . . 1.19 110.763 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' B' ' 47' ' ' ASN . 11.4 mmmm -85.72 -15.5 42.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.98 -1.009 . . . . 1.76 109.777 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.02 129.8 35.07 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.306 -0.861 . . . . 1.59 110.848 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.39 -27.22 69.16 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.954 -1.021 . . . . 1.5 110.239 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.59 74.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.166 -0.679 . . . . 1.32 109.166 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.46 ' O ' HG13 ' B' ' 57' ' ' ILE . 40.7 t -70.34 -44.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.74 -1.118 . . . . 1.23 109.169 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.456 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 39.8 mt -64.41 -37.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.694 -1.139 . . . . 1.1 111.395 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 11.9 t70 -63.94 -51.02 66.37 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.711 -0.848 . . . . 1.53 108.711 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -50.1 -44.7 52.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.878 -1.055 . . . . 1.77 111.655 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 69.8 mt -67.78 -58.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 1.62 111.17 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' B' ' 69' ' ' VAL . 91.2 t80 -52.67 -46.51 67.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 2.59 110.799 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.6 mm100 -68.14 -24.69 65.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 2.08 110.734 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.59 -25.41 63.06 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.978 -0.629 . . . . 0.56 112.274 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.586 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -92.11 -41.55 10.42 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.518 -0.549 . . . . 1.14 109.518 179.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.62 75.27 1.09 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.93 0.871 . . . . 1.4 110.381 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.8 -16.72 61.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.919 -1.037 . . . . 1.46 110.117 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.01 -21.3 60.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.341 -0.845 . . . . 3.55 110.032 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 60.4 27.42 17.01 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 114.965 -1.016 . . . . 3.2 110.985 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -114.78 9.67 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 2.14 110.36 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 61.95 51.03 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.376 -0.829 . . . . 2.01 110.66 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.48 117.21 11.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 2.47 111.146 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.433 HG21 ' CE1' ' B' ' 58' ' ' PHE . 55.4 t -97.88 115.74 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.853 -0.612 . . . . 2.42 110.99 175.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.77 172.95 8.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.774 -0.824 . . . . 2.02 108.774 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -53.56 -38.49 63.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.396 0.543 . . . . 2.98 110.358 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.621 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 20.4 tt0 -64.24 -43.53 94.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.952 -0.567 . . . . 2.16 111.747 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.6 mm-40 -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.499 0.666 . . . . 1.99 109.519 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.491 ' O ' HG21 ' B' ' 78' ' ' VAL . 49.9 t80 -64.69 -26.54 68.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.509 -0.769 . . . . 2.55 109.587 173.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.715 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -63.61 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.155 -0.93 . . . . 1.32 109.259 175.793 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.519 ' O ' ' HB1' ' B' ' 79' ' ' ALA . 23.3 m -59.83 -39.92 86.74 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.446 -0.797 . . . . 1.28 109.846 174.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.481 ' N ' HD21 ' B' ' 61' ' ' LEU . 15.6 tp -57.55 -46.03 84.39 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.714 0.293 . . . . 1.78 110.738 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.491 HG21 ' O ' ' B' ' 74' ' ' PHE . 10.6 t -63.54 -32.43 56.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.655 -0.498 . . . . 1.15 109.655 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -59.82 -49.74 76.51 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.522 0.677 . . . . 1.11 109.727 174.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.457 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.27 -43.78 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.012 -0.995 . . . . 1.09 110.455 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . . . -75.88 -29.46 58.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.408 -0.814 . . . . 1.0 112.645 -173.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 84.4 mt -72.5 -39.18 67.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.932 0.396 . . . . 1.1 110.155 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.727 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 27.8 mmmt -64.43 -38.07 89.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.999 -0.741 . . . . 2.26 108.999 170.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . . . -64.23 -22.28 66.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.366 -0.379 . . . . 1.24 111.453 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.28 -53.83 6.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.833 0.309 . . . . 1.1 111.833 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.472 ' C ' ' H ' ' B' ' 88' ' ' HIS . 43.1 t-80 -85.7 -44.4 12.58 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.26 0.552 . . . . 3.39 110.772 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.604 ' C ' ' H ' ' B' ' 89' ' ' THR . 12.1 t80 -83.56 22.78 1.02 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.216 -0.902 . . . . 2.64 109.327 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.472 ' H ' ' C ' ' B' ' 86' ' ' HIS . 1.1 t60 -47.56 18.08 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.752 2.021 . . . . 4.09 114.917 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.604 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.2 t -87.33 -44.76 11.16 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.228 -0.656 . . . . 1.47 109.228 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 CA--C 1.519 -0.221 0 C-N-CA 124.342 1.057 . . . . 4.28 109.152 175.145 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.33 0.11 . . . . 3.1 110.978 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 11.1 tp10 -53.84 -28.54 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.521 0.513 . . . . 2.51 112.326 -174.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.412 ' HD2' ' H ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -72.63 -42.76 64.07 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.193 -0.603 . . . . 2.85 111.878 178.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' CD1' HD21 ' B' ' 41' ' ' LEU . 97.6 mt -81.01 -58.1 3.23 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.486 0.66 . . . . 1.1 110.008 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.26 -26.66 65.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.971 -1.013 . . . . 2.41 110.006 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -68.86 -44.65 67.8 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.48 111.684 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.479 HG23 HG22 ' A' ' 78' ' ' VAL . 5.4 mm -54.53 -47.93 70.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.523 0.678 . . . . 1.84 109.941 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.11 -40.94 89.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 1.22 111.516 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -73.94 -27.83 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 1.95 111.0 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 10' ' ' GLY . 51.1 mt -74.73 -35.35 36.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 120.818 0.342 . . . . 2.55 110.746 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.629 -0.878 . . . . 3.26 108.629 172.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -67.14 -21.64 65.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.051 -0.977 . . . . 2.85 111.022 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 57.8 tp60 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.507 -0.315 . . . . 3.5 110.777 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 120.844 0.354 . . . . 3.39 110.722 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -101.23 -172.75 2.22 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.496 0.554 . . . . 1.87 112.496 -172.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.06 -29.16 70.11 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.564 -0.289 . . . . 1.93 111.144 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.4 -46.83 86.5 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.263 -0.494 . . . . 0.47 113.075 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.26 -46.07 85.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.334 0.588 . . . . 2.44 110.33 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.542 ' HG ' ' CD1' ' A' ' 37' ' ' LEU . 33.0 tp -64.55 -42.42 95.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.069 -0.969 . . . . 1.18 110.44 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 81.1 tttt -55.44 -46.61 76.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.511 . . . . 2.4 110.738 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.6 mp0 -59.68 -57.56 12.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 2.62 110.529 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.46 -46.48 63.08 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 121.187 0.518 . . . . 1.11 110.67 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.542 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 96.0 mt -65.43 -48.73 71.74 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 112.096 0.406 . . . . 1.18 112.096 -176.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -66.93 -30.84 71.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.799 0.333 . . . . 1.64 111.823 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.1 OUTLIER -97.43 -33.11 11.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.919 0.711 . . . . 2.17 112.919 -177.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.65 -32.55 11.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.1 -0.24 . . . . 1.67 111.539 -170.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' B' ' 8' ' ' LEU . 18.5 mt -120.2 25.51 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.153 0.502 . . . . 2.07 109.872 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -49.77 -42.41 46.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.822 -1.081 . . . . 1.25 113.317 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -105.82 14.04 28.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.841 0.353 . . . . 2.69 111.423 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.47 -58.4 1.88 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.478 0.656 . . . . 1.19 110.104 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.0 mt -86.15 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.946 -1.024 . . . . 1.14 109.947 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.72 124.37 18.88 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 110.187 -0.301 . . . . 2.14 110.187 -178.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.511 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.0 m120 45.63 43.98 9.81 Favored 'General case' 0 CA--C 1.519 -0.227 0 O-C-N 123.815 0.697 . . . . 1.62 111.945 176.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -64.1 -6.4 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.038 0.923 . . . . 1.19 110.581 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.6 OUTLIER -84.16 -10.84 57.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.936 -1.029 . . . . 1.76 109.932 178.562 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.41 127.98 37.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.171 -0.922 . . . . 1.58 110.685 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -23.82 65.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.562 -0.745 . . . . 1.51 110.457 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -35.31 76.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.124 -0.695 . . . . 1.33 109.124 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.87 -46.46 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.638 -1.165 . . . . 1.23 109.385 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.419 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 34.8 mt -60.71 -41.04 86.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.871 -1.058 . . . . 1.1 111.44 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.5 t70 -63.64 -51.78 63.65 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.965 -0.562 . . . . 1.53 109.57 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -47.46 -45.48 25.99 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.952 0.782 . . . . 1.77 111.516 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.1 mt -73.97 -52.83 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.382 -0.372 . . . . 1.62 111.367 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -53.49 -44.54 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 2.59 110.664 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 15.9 mm100 -70.45 -24.65 62.93 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.179 -0.918 . . . . 2.08 110.45 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -25.29 75.57 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.56 111.688 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -91.45 -44.29 9.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.339 -0.615 . . . . 1.14 109.339 177.105 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.82 73.98 0.59 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.205 -0.907 . . . . 1.4 110.29 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -23.37 60.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.102 -0.954 . . . . 1.46 110.519 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.85 -17.72 57.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 3.54 110.512 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 60.9 34.12 19.66 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 114.968 -1.015 . . . . 3.2 111.565 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -98.12 -4.65 35.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.694 0.759 . . . . 2.13 109.385 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 68.48 49.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.184 -1.371 . . . . 2.02 110.27 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -145.89 143.75 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.447 -0.797 . . . . 2.47 109.899 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -106.26 108.3 24.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.575 0.702 . . . . 2.42 111.294 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.7 167.16 9.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.653 -0.703 . . . . 2.02 109.603 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -59.46 -36.51 76.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.163 -0.68 . . . . 2.97 109.163 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.612 ' HB2' ' HZ2' ' B' ' 83' ' ' LYS . 32.0 tt0 -65.62 -42.31 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.393 -0.821 . . . . 2.16 111.069 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.3 mt-10 -72.92 -29.98 63.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.262 0.553 . . . . 1.99 110.09 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.555 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 83.8 t80 -73.06 -21.37 60.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.69 0.757 . . . . 2.55 109.607 172.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.548 HD12 ' HG2' ' B' ' 83' ' ' LYS . 1.6 mt -72.14 -41.84 67.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.154 -0.93 . . . . 1.31 109.895 177.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.514 ' O ' HD11 ' A' ' 80' ' ' ILE . 2.4 p -67.6 -28.84 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.126 -0.488 . . . . 1.27 110.031 172.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.555 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.4 tm? -57.64 -48.67 78.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 1.78 110.394 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.479 HG22 HG23 ' A' ' 11' ' ' ILE . 26.3 t -66.18 -32.41 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.996 -0.547 . . . . 1.15 110.105 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' CG2' ' B' ' 75' ' ' ILE . . . -61.43 -43.33 99.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 1.1 110.082 174.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -59.77 -44.79 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.426 -0.807 . . . . 1.09 110.516 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -71.68 -29.29 64.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.345 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 74.8 mt -67.84 -32.66 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.069 0.462 . . . . 1.1 110.027 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.635 ' HZ2' ' HB2' ' B' ' 72' ' ' GLN . 0.1 OUTLIER -66.23 -41.34 90.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.058 -0.519 . . . . 2.26 109.685 173.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . . . -66.86 -21.42 66.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.355 -0.838 . . . . 1.24 111.065 175.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.35 -52.71 6.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.433 -0.349 . . . . 1.1 111.699 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.407 ' C ' ' H ' ' A' ' 88' ' ' HIS . 2.1 t-160 -84.79 -54.33 4.76 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.441 0.639 . . . . 3.4 110.93 -175.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.527 ' C ' ' H ' ' A' ' 89' ' ' THR . 2.6 t80 -88.09 24.83 1.73 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.157 -0.929 . . . . 2.64 109.312 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 86' ' ' HIS . 5.6 p-80 -45.54 19.26 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 116.769 2.137 . . . . 4.09 116.769 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.527 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.9 t -76.01 -44.92 37.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 118.756 0.707 . . . . 1.46 109.296 174.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 . . . . . 0 C--O 1.224 -0.273 0 C-N-CA 123.546 0.738 . . . . 4.28 110.144 178.431 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.343 0.116 . . . . 3.1 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.478 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 10.8 tp10 -54.21 -28.35 40.41 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.495 0.497 . . . . 2.51 112.264 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.402 ' HD2' ' H ' ' B' ' 8' ' ' LEU . 0.3 OUTLIER -72.72 -42.82 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.278 -0.569 . . . . 2.85 111.786 178.277 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.433 ' CD1' HD21 ' A' ' 41' ' ' LEU . 97.7 mt -81.01 -58.04 3.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.565 0.697 . . . . 1.1 110.086 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.16 -26.74 65.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.75 -1.114 . . . . 2.41 109.999 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -68.92 -44.47 68.15 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.722 -0.672 . . . . 0.48 111.853 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.481 HG23 HG22 ' B' ' 78' ' ' VAL . 5.5 mm -54.65 -47.76 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.488 0.661 . . . . 1.84 109.967 173.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.27 -41.14 90.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.837 -1.074 . . . . 1.22 111.469 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -73.73 -27.71 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 1.95 111.134 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 10' ' ' GLY . 51.5 mt -74.88 -35.4 35.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 120.915 0.388 . . . . 2.55 110.768 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -62.97 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.661 -0.866 . . . . 3.26 108.661 172.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -67.26 -21.71 65.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.007 -0.997 . . . . 2.85 111.029 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 56.3 tp60 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.462 -0.336 . . . . 3.5 110.676 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.6 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 120.882 0.373 . . . . 3.39 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -101.2 -172.72 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.485 0.55 . . . . 1.88 112.485 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.99 -29.25 70.13 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.389 0.276 . . . . 1.93 111.037 -176.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.46 -46.82 86.95 Favored Glycine 0 CA--C 1.517 0.179 0 C-N-CA 121.259 -0.496 . . . . 0.46 113.008 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -64.21 -46.03 85.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.582 . . . . 2.43 110.294 -178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.545 ' HG ' ' CD1' ' B' ' 37' ' ' LEU . 33.0 tp -64.54 -42.56 95.65 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.009 -0.996 . . . . 1.18 110.424 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.426 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 81.3 tttt -55.34 -46.54 76.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.014 -0.539 . . . . 2.4 110.833 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.6 mp0 -59.76 -57.46 12.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.43 . . . . 2.62 110.54 175.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.63 -46.6 63.72 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.561 0.538 . . . . 1.11 110.585 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.545 ' CD1' ' HG ' ' B' ' 33' ' ' LEU . 96.0 mt -65.09 -49.11 71.28 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.032 0.382 . . . . 1.18 112.032 -176.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.469 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.1 p -66.59 -30.98 71.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.386 -0.37 . . . . 1.64 111.841 -175.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.1 OUTLIER -97.37 -33.24 11.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.861 0.689 . . . . 2.17 112.861 -177.191 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.44 -32.96 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.578 0.228 . . . . 1.67 111.462 -170.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 8' ' ' LEU . 18.4 mt -119.91 25.49 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 2.07 109.854 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.478 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -49.6 -42.65 45.18 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.803 -1.09 . . . . 1.25 113.221 -175.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -105.56 13.44 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.843 0.354 . . . . 2.69 111.528 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.05 -58.3 1.9 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.717 0.77 . . . . 1.19 110.185 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.555 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.0 mt -86.26 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 114.862 -1.063 . . . . 1.13 109.923 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.512 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -57.6 124.5 19.28 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 110.124 -0.325 . . . . 2.14 110.124 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.512 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.4 m120 45.2 44.15 8.53 Favored 'General case' 0 CA--C 1.519 -0.248 0 O-C-N 123.821 0.701 . . . . 1.62 111.963 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.555 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.5 tp -63.94 -6.31 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.957 0.884 . . . . 1.19 110.568 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.6 OUTLIER -84.18 -11.07 57.17 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.012 -0.995 . . . . 1.76 109.909 178.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.28 128.08 36.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.17 -0.923 . . . . 1.59 110.535 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -23.93 65.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.598 -0.728 . . . . 1.5 110.447 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.9 75.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.108 -0.701 . . . . 1.32 109.108 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.09 -46.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.701 -1.136 . . . . 1.23 109.4 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 34.7 mt -60.83 -41.04 87.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.867 -1.061 . . . . 1.1 111.457 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 24.2 t70 -63.64 -51.68 64.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.474 -0.565 . . . . 1.53 109.474 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -47.41 -45.52 25.51 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.575 -0.739 . . . . 1.77 111.607 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.46 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 93.3 mt -74.05 -52.78 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.405 -0.362 . . . . 1.62 111.332 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -53.58 -44.35 69.29 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.899 -0.591 . . . . 2.59 110.709 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.8 mm100 -70.58 -24.77 62.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.117 -0.947 . . . . 2.08 110.309 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.21 -25.0 75.81 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.965 -0.636 . . . . 0.56 111.751 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -91.66 -44.33 9.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.329 -0.619 . . . . 1.14 109.329 176.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 22.1 t70 -70.61 73.97 0.55 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.241 -0.89 . . . . 1.4 110.38 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.74 -23.66 60.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.116 -0.947 . . . . 1.46 110.464 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -77.87 -17.52 57.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.341 -0.845 . . . . 3.55 110.478 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 74.2 mt-30 60.65 34.38 20.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 114.954 -1.021 . . . . 3.2 111.547 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.17 -4.89 34.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.629 0.728 . . . . 2.14 109.15 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 68.66 49.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.303 -1.317 . . . . 2.01 110.257 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -145.89 144.02 29.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.463 -0.79 . . . . 2.47 109.784 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -106.6 108.2 24.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.607 0.718 . . . . 2.42 111.243 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.76 167.09 9.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.651 -0.704 . . . . 2.02 109.598 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.47 -36.24 75.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.188 -0.671 . . . . 2.98 109.188 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.635 ' HB2' ' HZ2' ' A' ' 83' ' ' LYS . 32.4 tt0 -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.418 -0.81 . . . . 2.16 111.077 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.9 mt-10 -72.96 -29.95 63.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.238 0.542 . . . . 1.99 110.038 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.551 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 84.1 t80 -73.12 -21.31 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.646 0.736 . . . . 2.55 109.623 172.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.528 HD12 ' HG2' ' A' ' 83' ' ' LYS . 1.6 mt -72.13 -41.84 67.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.231 -0.895 . . . . 1.32 109.866 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.498 ' O ' HD11 ' B' ' 80' ' ' ILE . 2.3 p -67.74 -28.82 67.97 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.062 -0.517 . . . . 1.28 110.005 172.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.4 tm? -57.6 -48.54 79.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 1.78 110.378 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.481 HG22 HG23 ' B' ' 11' ' ' ILE . 26.4 t -66.31 -32.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.052 -0.522 . . . . 1.15 109.988 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.448 ' HB3' ' CG2' ' A' ' 75' ' ' ILE . . . -61.32 -43.33 99.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.28 0.562 . . . . 1.11 110.135 174.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.498 HD11 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -59.92 -44.77 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.436 -0.802 . . . . 1.09 110.432 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.422 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -71.63 -29.38 64.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.637 -0.711 . . . . 1.0 111.341 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 74.5 mt -67.89 -32.46 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 1.1 109.989 173.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.612 ' HZ2' ' HB2' ' A' ' 72' ' ' GLN . 0.2 OUTLIER -66.45 -41.37 89.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.04 -0.527 . . . . 2.26 109.704 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . . . -66.72 -21.31 66.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.334 -0.848 . . . . 1.24 111.178 175.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.43 -52.72 6.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.33 -0.396 . . . . 1.1 111.787 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.418 ' C ' ' H ' ' B' ' 88' ' ' HIS . 2.1 t-160 -84.85 -54.29 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 3.39 110.879 -175.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.526 ' C ' ' H ' ' B' ' 89' ' ' THR . 2.5 t80 -88.21 24.84 1.76 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.173 -0.921 . . . . 2.64 109.366 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.418 ' H ' ' C ' ' B' ' 86' ' ' HIS . 5.6 p-80 -45.6 19.54 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.729 2.122 . . . . 4.09 116.729 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 87' ' ' TYR . 3.9 t -76.1 -44.78 37.09 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.781 0.719 . . . . 1.47 109.376 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 . . . . . 0 CA--C 1.52 -0.186 0 C-N-CA 123.559 0.744 . . . . 4.28 109.959 178.368 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 121.451 0.643 . . . . 3.1 110.298 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.489 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 20.9 tt0 -53.94 -22.79 11.01 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.121 -0.945 . . . . 2.51 111.254 173.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.617 ' O ' HG13 ' A' ' 11' ' ' ILE . 33.0 m-70 -71.03 -47.68 57.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 122.222 -0.299 . . . . 2.85 110.945 -177.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD13 ' HB1' ' B' ' 81' ' ' ALA . 69.6 mt -73.19 -62.37 1.49 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.602 0.239 . . . . 1.1 111.339 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 8' ' ' LEU . 2.1 mp0 -63.04 -24.67 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 2.41 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.628 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -70.02 -43.76 63.79 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.753 -0.658 . . . . 0.48 112.433 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 7' ' ' HIS . 77.3 mt -65.03 -38.88 83.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.357 0.598 . . . . 1.84 109.522 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.0 -38.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.181 -0.918 . . . . 1.22 110.24 174.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -68.62 -34.67 76.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.582 -0.735 . . . . 1.95 110.934 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.628 HG13 ' O ' ' A' ' 10' ' ' GLY . 70.1 mt -60.97 -46.5 96.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.432 -0.349 . . . . 2.55 110.299 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.407 ' HD2' ' CE2' ' A' ' 71' ' ' PHE . 50.9 t80 -64.53 -47.73 77.73 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 3.26 109.852 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.55 -25.35 64.46 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.912 -0.586 . . . . 2.85 110.926 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.348 -0.387 . . . . 3.5 110.25 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 110.024 -0.361 . . . . 3.39 110.024 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -103.24 -172.25 2.08 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.185 0.439 . . . . 1.87 112.185 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.85 -34.07 75.99 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.946 0.35 . . . . 1.93 111.946 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.04 -48.73 80.92 Favored Glycine 0 N--CA 1.462 0.382 0 C-N-CA 120.93 -0.652 . . . . 0.47 113.705 -173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.94 -31.47 69.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 2.44 111.071 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 23.2 tp -67.95 -44.31 77.06 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.681 -0.691 . . . . 1.18 109.369 175.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -54.92 -44.86 74.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.296 -0.866 . . . . 2.4 110.995 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 75.2 mt-30 -54.64 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 2.62 110.23 174.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.97 -46.63 43.83 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.958 0.786 . . . . 1.11 110.818 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.3 mt -65.83 -51.64 57.22 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.608 0.595 . . . . 1.18 112.608 -176.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 37.7 p -67.14 -32.15 73.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.808 0.299 . . . . 1.64 111.808 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 11.4 ptmm? -97.69 -33.17 11.4 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.975 0.731 . . . . 2.17 112.975 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.479 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 18.2 mm-40 -95.28 -46.83 6.57 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.342 0.591 . . . . 1.67 110.518 -173.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' HG ' HD12 ' B' ' 8' ' ' LEU . 8.2 mp -98.86 23.19 9.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 2.07 110.469 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 38' ' ' THR . . . -61.15 -13.58 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.425 -0.807 . . . . 1.25 112.629 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.61 -5.75 15.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 2.69 111.683 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.428 HG23 HD13 ' B' ' 8' ' ' LEU . 3.4 m -110.57 -60.45 1.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.31 -0.556 . . . . 1.19 111.566 -169.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 55.4 mt -79.05 142.41 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.569 -0.742 . . . . 1.14 110.094 -175.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -65.12 123.67 20.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.802 -0.444 . . . . 2.14 109.802 -176.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.512 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.8 m120 46.76 43.09 12.66 Favored 'General case' 0 CA--C 1.519 -0.226 0 O-C-N 123.679 0.612 . . . . 1.62 111.646 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -62.46 -7.94 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 122.066 0.936 . . . . 1.19 110.781 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.455 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -83.34 -13.42 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.874 -1.057 . . . . 1.76 110.094 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.3 m-20 -88.54 128.94 35.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.177 -0.92 . . . . 1.58 110.526 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.04 -30.58 71.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.319 -0.855 . . . . 1.51 110.384 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.642 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -67.2 -36.84 82.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.226 -0.657 . . . . 1.33 109.226 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.453 ' O ' HD13 ' A' ' 57' ' ' ILE . 23.3 t -72.78 -46.19 54.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.774 -1.103 . . . . 1.23 109.588 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 50' ' ' ASP . 44.7 mt -58.63 -34.99 52.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.577 -0.738 . . . . 1.1 110.955 177.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.89 -47.11 75.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.247 -1.019 . . . . 1.53 108.247 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.642 ' HG3' ' O ' ' A' ' 52' ' ' ALA . 42.0 mt-10 -55.52 -46.12 77.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.661 -1.154 . . . . 1.77 111.683 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.6 mp -67.4 -56.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.126 -0.488 . . . . 1.62 110.744 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.21 -45.44 79.86 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.807 -0.633 . . . . 2.59 110.583 -175.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.58 ' HA ' HE21 ' A' ' 59' ' ' GLN . 0.0 OUTLIER -67.63 -26.56 66.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.589 -0.732 . . . . 2.08 110.747 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.3 -25.6 75.15 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.693 -0.765 . . . . 0.56 111.855 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.41 -41.75 9.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.611 -0.514 . . . . 1.14 109.611 177.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.32 73.4 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 1.4 110.215 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.15 -17.74 51.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.288 -0.869 . . . . 1.46 109.578 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.83 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -1.059 . . . . 3.54 110.286 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 60.06 40.27 18.76 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 114.61 -1.177 . . . . 3.2 112.554 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -122.02 6.04 9.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.407 0.622 . . . . 2.13 110.129 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 62.86 59.41 1.39 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.934 -1.03 . . . . 2.02 110.12 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -148.97 116.18 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 2.47 110.336 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 p -95.79 105.17 16.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.664 -0.698 . . . . 2.42 110.268 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.11 178.6 8.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.172 -0.467 . . . . 2.02 109.783 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.407 ' CE2' ' HD2' ' A' ' 15' ' ' PHE . 55.4 m-85 -62.5 -30.3 71.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.958 0.409 . . . . 2.97 110.007 175.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.516 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 7.8 tt0 -69.05 -43.91 73.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 2.16 110.986 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -67.47 -38.13 83.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.911 -0.774 . . . . 1.99 108.911 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CD1' HD22 ' A' ' 77' ' ' LEU . 84.0 t80 -64.3 -27.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.076 -0.965 . . . . 2.55 110.47 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.516 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -64.89 -40.77 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.825 -0.625 . . . . 1.31 109.552 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.427 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 70.5 m -62.93 -38.17 89.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.466 -0.788 . . . . 1.27 110.069 174.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.523 HD22 ' CD1' ' A' ' 74' ' ' PHE . 19.0 tp -57.21 -44.8 84.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.506 -0.316 . . . . 1.78 111.037 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.538 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 22.0 t -66.82 -30.67 50.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.989 -0.374 . . . . 1.15 109.989 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -63.06 -47.34 83.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.15 0.5 . . . . 1.1 109.949 173.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -58.84 -41.39 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.44 -0.8 . . . . 1.09 110.62 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.482 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.05 -41.23 59.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.451 -0.795 . . . . 1.0 112.019 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.2 mt -61.85 -36.46 81.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.403 0.62 . . . . 1.1 109.346 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 3.7 tmtp? -64.56 -41.99 95.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.191 -0.913 . . . . 2.26 109.933 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.7 65.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.157 -0.474 . . . . 1.24 111.215 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.72 -59.64 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.271 -0.422 . . . . 1.1 111.384 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -76.21 -47.94 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.6 0.714 . . . . 3.4 110.952 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.629 ' C ' ' H ' ' A' ' 89' ' ' THR . 13.6 t80 -88.68 25.66 1.68 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.61 -1.177 . . . . 2.64 109.688 -177.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.54 ' C ' ' H ' ' A' ' 90' ' ' HIS . 33.3 t60 -47.32 16.82 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.755 1.622 . . . . 4.09 114.787 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.629 ' H ' ' C ' ' A' ' 87' ' ' TYR . 14.7 t -79.74 17.64 0.89 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.932 0.873 . . . . 1.46 108.987 171.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.54 ' H ' ' C ' ' A' ' 88' ' ' HIS . 20.1 m170 . . . . . 0 CA--C 1.513 -0.469 0 CA-C-N 114.061 -1.427 . . . . 4.28 109.797 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 121.397 0.618 . . . . 3.1 110.217 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.489 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 20.7 tt0 -53.98 -22.61 10.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.142 -0.936 . . . . 2.51 111.317 173.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.619 ' O ' HG13 ' B' ' 11' ' ' ILE . 32.6 m-70 -71.07 -47.77 56.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.253 -0.28 . . . . 2.85 110.876 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.482 HD13 ' HB1' ' A' ' 81' ' ' ALA . 69.8 mt -73.17 -62.46 1.46 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.541 0.21 . . . . 1.1 111.358 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.409 ' OE1' ' HB2' ' B' ' 8' ' ' LEU . 2.2 mp0 -62.96 -24.47 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 2.41 110.338 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.644 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -70.36 -43.45 62.38 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.637 -0.71 . . . . 0.48 112.514 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.619 HG13 ' O ' ' B' ' 7' ' ' HIS . 77.4 mt -65.24 -39.01 84.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 117.392 0.596 . . . . 1.84 109.46 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.7 -39.06 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.218 -0.901 . . . . 1.22 110.308 174.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.565 -0.743 . . . . 1.95 110.807 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.644 HG13 ' O ' ' B' ' 10' ' ' GLY . 70.2 mt -61.12 -46.23 97.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.507 -0.315 . . . . 2.55 110.317 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.402 ' HB2' ' CZ ' ' B' ' 74' ' ' PHE . 50.8 t80 -64.55 -47.77 77.53 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.838 -0.43 . . . . 3.26 109.838 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -59.69 -25.08 64.47 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 2.85 110.965 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 3.5 110.275 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.124 -0.325 . . . . 3.39 110.124 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -103.26 -172.11 2.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.142 0.423 . . . . 1.88 112.142 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.88 -34.29 76.37 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 111.919 0.34 . . . . 1.93 111.919 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.53 -49.4 73.74 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 120.916 -0.659 . . . . 0.46 113.645 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.54 -31.35 69.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.058 0.456 . . . . 2.43 111.149 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 23.5 tp -68.01 -44.23 77.02 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.74 -0.664 . . . . 1.18 109.364 175.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.79 -45.23 74.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.332 -0.849 . . . . 2.4 110.935 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 75.4 mt-30 -54.44 -62.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 2.62 110.2 174.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.93 -46.7 43.57 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.569 -0.741 . . . . 1.11 110.905 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.2 mt -65.76 -51.65 57.43 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 112.548 0.573 . . . . 1.18 112.548 -176.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.524 ' O ' ' HB3' ' B' ' 42' ' ' ALA . 37.2 p -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 111.849 0.315 . . . . 1.64 111.849 -174.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 11.4 ptmm? -97.67 -33.18 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.981 0.734 . . . . 2.17 112.981 -176.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.477 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 18.4 mm-40 -95.13 -46.99 6.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.67 110.537 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.451 ' HG ' HD12 ' A' ' 8' ' ' LEU . 8.1 mp -98.73 23.22 9.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 2.07 110.543 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' B' ' 38' ' ' THR . . . -61.29 -13.36 18.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.463 -0.789 . . . . 1.25 112.666 -177.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.53 -6.18 14.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.668 0.247 . . . . 2.69 111.668 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.446 HG23 HD13 ' A' ' 8' ' ' LEU . 3.3 m -110.51 -60.28 1.83 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.149 0.5 . . . . 1.19 111.708 -169.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 55.3 mt -79.29 142.35 14.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.635 -0.712 . . . . 1.13 110.108 -175.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.515 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -65.11 123.68 20.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.965 -0.383 . . . . 2.14 109.965 -176.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.515 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 10.3 m120 46.63 43.3 12.46 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 123.631 0.582 . . . . 1.62 111.545 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.4 tp -62.61 -7.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.903 0.858 . . . . 1.19 110.691 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.481 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.3 mmmm -83.48 -13.21 55.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.937 -1.029 . . . . 1.76 110.055 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.418 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.2 m-20 -88.57 128.66 35.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.039 -0.982 . . . . 1.59 110.61 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.75 -30.72 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.24 -0.891 . . . . 1.5 110.361 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' B' ' 56' ' ' GLU . . . -67.24 -36.91 82.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.157 -0.682 . . . . 1.32 109.157 177.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.459 ' O ' HD13 ' B' ' 57' ' ' ILE . 23.4 t -72.63 -46.36 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.77 -1.104 . . . . 1.23 109.595 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 50' ' ' ASP . 44.0 mt -58.45 -35.14 52.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.445 -0.798 . . . . 1.1 110.831 177.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.71 -47.37 75.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.216 -1.031 . . . . 1.53 108.216 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' B' ' 52' ' ' ALA . 42.8 mt-10 -55.57 -45.88 77.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.728 -1.124 . . . . 1.77 111.635 177.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.534 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.6 mp -67.35 -56.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 1.62 110.753 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.08 -45.44 79.38 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.734 -0.666 . . . . 2.59 110.572 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.584 ' HA ' HE21 ' B' ' 59' ' ' GLN . 0.0 OUTLIER -67.76 -26.49 66.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.597 -0.729 . . . . 2.08 110.795 179.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.58 75.03 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.676 -0.773 . . . . 0.56 111.846 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.35 -42.11 9.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.486 -0.561 . . . . 1.14 109.486 177.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.93 73.3 1.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.449 -0.796 . . . . 1.4 110.225 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.88 -18.1 51.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.382 -0.826 . . . . 1.46 109.663 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -74.03 -18.79 60.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.824 -1.08 . . . . 3.55 110.387 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.02 39.89 19.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.749 -1.114 . . . . 3.2 112.569 174.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -121.67 6.1 10.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.319 0.58 . . . . 2.14 110.155 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 62.8 59.36 1.42 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.078 -0.965 . . . . 2.01 110.085 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.94 116.25 6.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.307 -0.86 . . . . 2.47 110.361 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 p -95.87 105.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.611 -0.722 . . . . 2.42 110.246 176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -80.1 178.68 8.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.053 -0.521 . . . . 2.02 109.769 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.67 -30.25 71.25 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.56 -0.456 . . . . 2.98 110.028 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.535 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 7.8 tt0 -68.83 -44.29 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 2.16 110.955 175.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.4 mm-40 -67.16 -38.15 84.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.874 -0.788 . . . . 1.99 108.874 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.524 ' CD1' HD22 ' B' ' 77' ' ' LEU . 84.0 t80 -64.28 -27.33 68.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.04 -0.982 . . . . 2.55 110.434 174.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -65.18 -40.54 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.878 -0.601 . . . . 1.32 109.498 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.442 ' O ' HD13 ' B' ' 80' ' ' ILE . 66.8 m -63.18 -38.02 89.51 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.59 -0.732 . . . . 1.28 110.066 174.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.524 HD22 ' CD1' ' B' ' 74' ' ' PHE . 19.4 tp -57.23 -44.8 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.473 -0.33 . . . . 1.78 111.044 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.1 t -66.98 -30.59 50.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.937 -0.394 . . . . 1.15 109.937 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -62.81 -47.69 82.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.183 0.516 . . . . 1.11 109.956 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.442 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -58.71 -41.32 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 1.09 110.541 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -74.98 -41.4 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.444 -0.798 . . . . 1.0 112.07 -174.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 89.1 mt -61.78 -36.46 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.408 0.623 . . . . 1.1 109.37 174.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.47 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 3.7 tmtp? -64.54 -42.02 95.99 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.125 -0.943 . . . . 2.26 109.951 174.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.71 65.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.254 -0.43 . . . . 1.24 111.124 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.76 -59.23 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.384 -0.371 . . . . 1.1 111.535 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -76.62 -48.03 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.708 0.766 . . . . 3.39 110.786 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.617 ' C ' ' H ' ' B' ' 89' ' ' THR . 13.5 t80 -88.49 25.73 1.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.632 -1.167 . . . . 2.64 109.644 -177.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.522 ' C ' ' H ' ' B' ' 90' ' ' HIS . 32.6 t60 -47.58 17.27 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.724 1.61 . . . . 4.09 114.77 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.617 ' H ' ' C ' ' B' ' 87' ' ' TYR . 13.5 t -80.11 17.79 0.95 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.754 0.787 . . . . 1.47 108.968 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.522 ' H ' ' C ' ' B' ' 88' ' ' HIS . 20.3 m170 . . . . . 0 CA--C 1.511 -0.527 0 CA-C-N 114.206 -1.361 . . . . 4.28 109.662 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 113.9 1.074 . . . . 3.1 113.9 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.34 -34.3 46.64 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.004 0.742 . . . . 2.51 113.004 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -78.28 -35.08 48.45 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.109 -0.37 . . . . 2.85 111.727 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.535 ' CD1' ' HB2' ' B' ' 81' ' ' ALA . 62.1 mt -83.75 -54.84 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.048 0.452 . . . . 1.1 109.927 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.03 -27.9 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.434 -0.803 . . . . 2.41 110.423 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.71 -52.13 41.11 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.565 -0.743 . . . . 0.48 111.785 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.41 HG23 HG21 ' A' ' 78' ' ' VAL . 15.0 mm -54.84 -48.18 74.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.045 0.45 . . . . 1.84 110.438 175.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.84 -44.2 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 1.22 111.423 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.61 -40.87 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 1.95 110.555 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 10' ' ' GLY . 22.1 mm -61.28 -44.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 2.55 110.698 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 44.5 t80 -61.28 -46.14 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 3.26 110.088 177.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -63.28 -21.88 66.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 2.85 111.155 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.496 -0.32 . . . . 3.5 111.627 -177.743 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.795 0.807 . . . . 3.39 109.02 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 p -92.39 -171.04 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.09 -0.959 . . . . 1.87 111.699 -173.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 22.3 ttmt -52.59 -29.85 27.98 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.553 -0.294 . . . . 1.93 111.573 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -47.01 91.63 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.229 -0.51 . . . . 0.47 113.193 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -63.73 -44.09 94.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.362 0.601 . . . . 2.44 110.044 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 27.2 tp -60.23 -51.66 68.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.868 -1.06 . . . . 1.18 109.617 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 38' ' ' THR . 80.8 tttt -53.93 -48.65 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.342 -0.844 . . . . 2.4 111.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.72 -56.98 12.62 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.38 0.425 . . . . 2.62 110.232 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.8 tt -53.56 -50.48 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.185 -0.461 . . . . 1.11 110.546 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 97.0 mt -59.48 -52.05 67.25 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.887 0.699 . . . . 1.18 112.887 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 34' ' ' LYS . 9.6 t -64.14 -30.9 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.504 0.193 . . . . 1.64 111.498 -173.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HZ1' ' CB ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -97.4 -30.96 12.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 113.117 0.784 . . . . 2.17 113.117 -177.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 57.1 mm-40 -95.65 -40.43 9.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.109 0.481 . . . . 1.67 111.533 -174.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -107.85 18.19 21.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 2.07 110.842 -172.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.434 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -50.64 -36.29 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.515 -0.766 . . . . 1.25 112.527 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -109.17 20.24 18.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.721 0.267 . . . . 2.69 111.721 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.405 HG22 ' CD1' ' B' ' 8' ' ' LEU . 17.6 m -116.91 -64.55 1.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.279 0.561 . . . . 1.19 110.964 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 84' ' ' ALA . 41.2 mt -80.75 138.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.782 -0.645 . . . . 1.14 110.456 -176.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.16 121.18 8.85 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.119 -0.491 . . . . 2.14 109.923 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.452 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.6 m-20 45.09 44.48 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.53 -0.759 . . . . 1.62 111.844 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.513 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -59.8 -6.92 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.842 0.829 . . . . 1.19 111.21 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.452 ' HZ1' ' HB3' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -85.76 -9.55 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.357 -0.838 . . . . 1.76 109.949 -179.163 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 54' ' ' ILE . 2.3 m-20 -89.88 128.47 36.2 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.292 -0.867 . . . . 1.58 110.889 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.8 tptm -63.05 -28.49 70.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.12 -0.946 . . . . 1.51 110.23 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -69.21 -34.41 74.82 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.245 -0.65 . . . . 1.33 109.245 177.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 57' ' ' ILE . 38.3 t -73.61 -48.9 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.857 -1.065 . . . . 1.23 109.321 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 25.4 mt -59.13 -37.04 65.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.977 -1.011 . . . . 1.1 111.331 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.555 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.44 -43.08 82.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.888 -0.597 . . . . 1.53 109.74 178.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 40.0 mm-40 -53.39 -48.85 68.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.191 -0.913 . . . . 1.77 110.735 174.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.605 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.6 mt -68.05 -53.98 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 1.62 110.965 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -51.34 -46.37 62.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.296 -0.865 . . . . 2.59 110.904 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -68.6 -24.82 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 2.08 111.148 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.02 -21.87 75.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.859 -0.686 . . . . 0.56 112.353 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.627 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -96.3 -44.73 7.12 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.759 -0.46 . . . . 1.14 109.759 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 34.6 t70 -70.25 71.18 0.42 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 124.032 0.832 . . . . 1.4 110.3 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 -21.85 41.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.124 -0.944 . . . . 1.46 110.055 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -83.9 -13.99 52.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 3.54 110.604 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 91.6 mt-30 65.13 40.0 5.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.936 -1.029 . . . . 3.2 111.87 173.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.13 -3.19 26.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.992 0.425 . . . . 2.13 110.12 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 62.78 30.49 16.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.329 -0.85 . . . . 2.02 109.719 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.59 118.58 12.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.203 -0.908 . . . . 2.47 109.666 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.74 106.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.893 0.377 . . . . 2.42 110.825 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.64 166.13 23.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 2.02 109.722 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -56.37 -40.11 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 2.97 110.595 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.546 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 37.4 tt0 -75.47 -32.06 60.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.363 0.602 . . . . 2.16 111.074 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.627 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.5 mt-10 -71.68 -26.73 62.64 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.422 0.63 . . . . 1.99 109.635 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 65.1 t80 -76.31 -21.49 56.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.464 -0.569 . . . . 2.55 109.464 171.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -62.86 -44.13 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.71 -0.848 . . . . 1.31 108.71 174.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.555 ' O ' HD11 ' A' ' 80' ' ' ILE . 2.0 p -69.36 -30.33 68.31 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.599 -0.728 . . . . 1.27 110.787 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.483 ' HG ' HD13 ' A' ' 33' ' ' LEU . 2.6 tm? -56.42 -47.58 78.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.428 . . . . 1.78 109.856 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.605 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.4 t -66.48 -31.58 54.23 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 115.944 -0.571 . . . . 1.15 110.222 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.516 0.674 . . . . 1.1 109.805 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.555 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.72 -43.66 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.879 -1.055 . . . . 1.09 110.241 174.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.531 ' HB2' ' CD1' ' B' ' 8' ' ' LEU . . . -75.52 -33.64 60.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.961 . . . . 1.0 112.824 -172.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 99.4 mt -67.55 -41.66 83.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.176 0.513 . . . . 1.1 110.291 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 5.6 mttt -74.99 -23.94 58.35 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.852 -0.739 . . . . 2.26 110.57 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . . . -67.61 -23.61 65.39 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 1.24 110.228 170.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.81 -51.69 7.43 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.175 -0.466 . . . . 1.1 111.355 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' C ' ' H ' ' A' ' 88' ' ' HIS . 41.2 t-80 -82.35 -55.42 4.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.298 0.571 . . . . 3.4 110.957 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.565 ' C ' ' H ' ' A' ' 89' ' ' THR . 7.3 t80 -78.69 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.958 -1.019 . . . . 2.64 109.918 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.6 p-80 -52.0 18.57 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.223 1.564 . . . . 4.09 115.223 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.565 ' H ' ' C ' ' A' ' 87' ' ' TYR . 4.3 t -77.24 -35.7 55.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.438 -1.319 . . . . 1.46 107.438 175.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 89' ' ' THR . 11.0 p80 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 113.066 -1.879 . . . . 4.28 106.585 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 113.911 1.078 . . . . 3.1 113.911 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -52.24 -34.66 46.97 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.051 0.76 . . . . 2.51 113.051 -169.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -77.97 -35.07 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.242 -0.286 . . . . 2.85 111.704 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.531 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 61.7 mt -83.74 -54.79 4.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 1.1 109.95 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.19 -27.81 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.365 -0.834 . . . . 2.41 110.376 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.415 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.92 -51.93 41.74 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.67 -0.696 . . . . 0.48 111.77 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.423 HG23 HG21 ' B' ' 78' ' ' VAL . 15.0 mm -55.01 -48.1 76.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.025 0.441 . . . . 1.84 110.493 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.13 -43.86 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.558 -0.746 . . . . 1.22 111.498 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -65.75 -41.03 92.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 1.95 110.556 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 10' ' ' GLY . 22.3 mm -61.09 -44.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.626 . . . . 2.55 110.782 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.439 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 44.4 t80 -61.43 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 3.26 110.15 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.46 -22.13 66.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.99 -0.55 . . . . 2.85 111.083 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.282 -0.417 . . . . 3.5 111.631 -177.538 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.6 tp . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 121.873 0.844 . . . . 3.39 108.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -92.53 -171.06 2.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 1.88 111.725 -173.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.543 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 22.3 ttmt -52.61 -29.76 27.66 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 122.374 0.269 . . . . 1.93 111.695 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.73 -47.07 91.13 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.374 -0.441 . . . . 0.46 113.21 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -63.6 -44.25 94.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.332 0.587 . . . . 2.43 110.144 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.631 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.3 tp -60.21 -51.47 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.931 -1.031 . . . . 1.18 109.639 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.448 ' O ' HG23 ' B' ' 38' ' ' THR . 80.9 tttt -54.11 -48.57 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 2.4 111.413 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.74 -56.87 13.61 Favored 'General case' 0 CA--C 1.519 -0.216 0 O-C-N 123.451 0.469 . . . . 2.62 110.267 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 9.8 tt -53.73 -50.48 65.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.128 -0.487 . . . . 1.11 110.502 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.4 mt -59.73 -51.82 68.15 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.843 0.683 . . . . 1.18 112.843 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.448 HG23 ' O ' ' B' ' 34' ' ' LYS . 9.6 t -64.04 -31.06 72.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.507 0.194 . . . . 1.64 111.514 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.421 ' HZ1' ' CB ' ' B' ' 39' ' ' LYS . 0.1 OUTLIER -97.3 -31.19 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.164 0.802 . . . . 2.17 113.164 -177.308 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 56.7 mm-40 -95.67 -40.29 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.214 0.53 . . . . 1.67 111.619 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -107.58 18.08 21.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.428 -0.806 . . . . 2.07 110.978 -172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.437 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -50.76 -35.78 33.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.439 -0.8 . . . . 1.25 112.573 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -109.52 19.73 18.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.679 -0.237 . . . . 2.69 111.614 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 17.9 m -116.5 -65.11 1.22 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.112 0.482 . . . . 1.19 110.835 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' B' ' 84' ' ' ALA . 41.4 mt -80.13 139.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.878 -0.601 . . . . 1.13 110.466 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.448 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.36 121.1 8.79 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.095 -0.502 . . . . 2.14 109.876 -177.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.448 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 45.21 44.47 8.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.614 -0.721 . . . . 1.62 111.72 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -59.95 -6.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.859 0.838 . . . . 1.19 111.218 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.461 ' HZ1' ' HB3' ' B' ' 49' ' ' LYS . 0.8 OUTLIER -86.0 -9.13 57.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.305 -0.861 . . . . 1.76 110.055 -179.256 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.415 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.4 m-20 -90.26 128.84 36.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.328 -0.851 . . . . 1.59 110.836 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -63.35 -28.4 69.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.16 -0.927 . . . . 1.5 110.211 176.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -69.27 -34.47 74.81 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.295 -0.631 . . . . 1.32 109.295 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.459 ' O ' HG13 ' B' ' 57' ' ' ILE . 38.1 t -73.47 -48.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.807 -1.088 . . . . 1.23 109.355 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.42 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 25.4 mt -58.98 -37.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.939 -1.028 . . . . 1.1 111.286 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.2 OUTLIER -67.59 -43.15 81.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.924 -0.58 . . . . 1.53 109.66 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 40.3 mm-40 -53.28 -48.84 67.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.168 -0.923 . . . . 1.77 110.703 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.1 mt -68.19 -54.05 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.621 -0.718 . . . . 1.62 110.958 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.22 -46.39 62.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.315 -0.857 . . . . 2.59 110.894 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -68.88 -24.12 64.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.725 -0.67 . . . . 2.08 111.244 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.46 -21.92 74.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.56 112.278 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.63 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.4 OUTLIER -96.36 -44.56 7.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.86 -0.422 . . . . 1.14 109.86 178.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -70.15 71.15 0.4 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.262 -0.881 . . . . 1.4 110.278 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.47 -22.37 41.13 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.29 -0.868 . . . . 1.46 110.012 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -83.3 -14.54 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.13 -0.941 . . . . 3.55 110.55 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 65.71 40.17 4.5 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 114.823 -1.08 . . . . 3.2 111.885 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.22 -3.23 26.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 2.14 110.198 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 63.12 29.89 16.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.211 -0.904 . . . . 2.01 109.791 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -139.18 118.52 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.234 -0.894 . . . . 2.47 109.656 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.61 106.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.977 0.418 . . . . 2.42 110.842 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.83 166.14 23.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 2.02 109.678 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -56.35 -40.01 73.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.789 0.328 . . . . 2.98 110.624 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.543 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 37.0 tt0 -75.56 -32.05 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.308 0.575 . . . . 2.16 111.059 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.63 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.6 mt-10 -71.59 -26.81 62.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.436 0.636 . . . . 1.99 109.613 174.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 64.8 t80 -76.35 -21.38 56.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.552 -0.536 . . . . 2.55 109.552 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -62.66 -44.25 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.724 -0.843 . . . . 1.32 108.724 174.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.559 ' O ' HD11 ' B' ' 80' ' ' ILE . 1.8 p -69.49 -30.25 68.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.538 -0.756 . . . . 1.28 110.846 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.485 ' HG ' HD13 ' B' ' 33' ' ' LEU . 2.6 tm? -56.32 -47.72 78.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.693 -0.484 . . . . 1.78 109.693 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 26.7 t -66.45 -31.5 53.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-N 115.946 -0.57 . . . . 1.15 110.229 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.89 -49.43 77.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.558 0.694 . . . . 1.11 109.714 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.559 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.77 -43.65 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.968 -1.015 . . . . 1.09 110.198 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.535 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . . . -75.57 -33.73 60.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.081 -0.963 . . . . 1.0 112.763 -172.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 99.4 mt -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.059 0.457 . . . . 1.1 110.299 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 5.6 mttt -75.1 -23.78 58.01 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.901 -0.719 . . . . 2.26 110.64 175.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . . . -67.75 -23.63 65.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 1.24 110.123 170.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.75 -51.63 7.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 1.1 111.357 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' B' ' 88' ' ' HIS . 41.1 t-80 -82.59 -55.2 4.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.437 0.637 . . . . 3.39 111.029 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.558 ' C ' ' H ' ' B' ' 89' ' ' THR . 7.2 t80 -78.68 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.008 -0.996 . . . . 2.64 109.942 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.6 p-80 -52.1 18.67 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.03 1.493 . . . . 4.09 115.03 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.558 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -77.27 -35.96 54.73 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 107.327 -1.36 . . . . 1.47 107.327 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' B' ' 89' ' ' THR . 11.0 p80 . . . . . 0 N--CA 1.451 -0.412 0 CA-C-N 113.088 -1.869 . . . . 4.28 106.668 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.45 ' HG2' ' HG1' ' B' ' 44' ' ' THR . 43.8 mt-10 . . . . . 0 C--O 1.224 -0.252 0 N-CA-C 110.257 -0.275 . . . . 3.1 110.257 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.556 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 2.5 tm-20 -55.79 -35.68 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 2.51 111.442 -172.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.459 ' O ' HG13 ' A' ' 11' ' ' ILE . 15.4 m170 -70.37 -58.2 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.698 -0.401 . . . . 2.85 111.064 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.512 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 82.9 mt -70.47 -60.92 1.98 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.378 0.609 . . . . 1.1 111.37 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -69.93 -23.2 63.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.577 -0.738 . . . . 2.41 109.725 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.2 -43.37 95.52 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.467 -0.873 . . . . 0.48 111.877 174.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 7' ' ' HIS . 84.0 mt -65.36 -41.29 90.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.178 0.513 . . . . 1.84 110.08 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.18 -42.27 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 1.22 110.357 175.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.81 -37.22 85.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.514 -0.767 . . . . 1.95 111.007 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.592 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.6 mm -61.34 -47.66 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.55 110.474 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.469 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.1 t80 -68.43 -36.14 78.63 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.67 -0.493 . . . . 3.26 109.67 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.36 -24.38 67.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.487 -0.779 . . . . 2.85 111.114 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 3.5 110.953 -179.617 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 45.4 mt . . . . . 0 C--O 1.224 -0.278 0 CA-C-O 121.014 0.435 . . . . 3.39 110.789 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -103.22 -177.92 3.51 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.475 -0.49 . . . . 1.87 111.774 -173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.3 ttmp? -61.24 -34.05 74.5 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 111.725 0.268 . . . . 1.93 111.725 -174.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -44.48 94.71 Favored Glycine 0 C--O 1.235 0.209 0 C-N-CA 120.858 -0.687 . . . . 0.47 113.013 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.22 -41.43 73.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.111 0.481 . . . . 2.44 110.448 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.9 tp -62.75 -43.36 98.99 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.531 -0.758 . . . . 1.18 109.904 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.8 tttt -56.99 -49.34 76.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 2.4 110.935 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -55.59 -54.39 44.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.906 -0.588 . . . . 2.62 109.662 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -52.41 -57.28 10.32 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.964 -0.562 . . . . 1.11 110.308 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.6 mt -59.22 -46.6 88.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.74 0.645 . . . . 1.18 112.74 -173.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.443 HG22 ' HA ' ' A' ' 49' ' ' LYS . 25.0 p -64.94 -35.25 80.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.887 0.328 . . . . 1.64 111.887 -174.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -96.9 -30.32 13.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.472 0.545 . . . . 2.17 112.472 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -90.91 -44.26 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.882 0.372 . . . . 1.67 111.024 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' B' ' 8' ' ' LEU . 19.9 mt -114.79 25.16 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.045 -0.525 . . . . 2.07 110.356 -171.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.83 -40.99 31.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.088 -0.96 . . . . 1.25 113.016 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.3 11.64 37.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.832 0.308 . . . . 2.69 111.832 -172.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.432 ' HG1' ' HG2' ' B' ' 5' ' ' GLU . 19.1 m -108.86 -63.29 1.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.43 0.634 . . . . 1.19 110.62 -177.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 51.7 mt -80.11 131.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.236 -0.893 . . . . 1.14 109.493 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.75 125.57 21.82 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.571 -0.286 . . . . 2.14 110.425 -176.778 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.454 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 18.2 m120 46.22 42.6 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.65 . . . . 1.62 111.696 176.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -64.33 -3.75 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.981 0.896 . . . . 1.19 110.699 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.443 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -84.32 -13.94 51.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.074 -0.966 . . . . 1.76 109.833 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.44 128.57 35.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.17 -0.923 . . . . 1.58 110.787 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.81 68.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.718 . . . . 1.51 110.055 179.015 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.86 -37.96 85.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.944 -0.762 . . . . 1.33 108.944 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' O ' HD11 ' A' ' 57' ' ' ILE . 30.9 t -71.12 -48.99 51.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.684 -1.144 . . . . 1.23 109.457 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.1 mt -58.93 -37.46 67.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.32 -0.855 . . . . 1.1 111.888 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -65.28 -45.08 85.87 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.826 -0.805 . . . . 1.53 108.826 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 39.0 mm-40 -53.95 -49.67 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.84 -1.073 . . . . 1.77 111.282 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.508 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -64.41 -52.42 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 1.62 110.682 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.544 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 94.1 t80 -57.04 -45.19 83.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.386 -0.824 . . . . 2.59 110.453 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.22 -24.66 66.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.7 -0.682 . . . . 2.08 110.842 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.97 73.06 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.71 -0.757 . . . . 0.56 111.925 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -95.79 -43.99 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.089 -0.337 . . . . 1.14 110.089 179.234 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 35.9 t70 -72.78 72.61 1.07 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.258 -0.883 . . . . 1.4 110.058 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.71 -31.45 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.224 -0.898 . . . . 1.46 111.349 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -78.09 -9.46 59.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 3.54 110.799 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 52.0 mt-30 63.63 43.5 5.69 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.006 -0.997 . . . . 3.2 111.799 173.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.56 1.8 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.435 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 29.9 mt-10 58.76 40.48 23.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.331 -0.849 . . . . 2.02 110.583 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -135.47 117.22 15.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.416 -0.811 . . . . 2.47 109.675 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 4.4 p -93.1 107.21 18.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.694 0.759 . . . . 2.42 110.404 176.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -73.63 170.74 14.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 2.02 109.973 177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -59.83 -33.43 71.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.236 0.541 . . . . 2.97 109.839 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.538 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 27.0 tt0 -65.97 -40.22 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.653 -0.703 . . . . 2.16 111.0 174.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 34.0 mt-10 -78.0 -29.18 49.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.368 0.604 . . . . 1.99 110.072 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 78' ' ' VAL . 80.5 t80 -71.57 -21.05 61.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.805 -0.634 . . . . 2.55 109.349 170.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.663 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.9 OUTLIER -69.66 -42.82 80.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.568 -0.742 . . . . 1.31 109.559 176.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.508 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.3 p -66.3 -30.48 70.91 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.007 -0.542 . . . . 1.27 109.986 172.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.512 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.2 tm? -58.39 -45.95 87.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.839 -0.43 . . . . 1.78 109.839 175.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 74' ' ' PHE . 21.2 t -67.49 -26.66 36.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 116.382 -0.372 . . . . 1.15 110.043 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -64.55 -48.29 75.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 1.1 109.894 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.55 -40.57 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.425 -0.807 . . . . 1.09 110.126 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.503 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -75.26 -38.4 60.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.548 -0.751 . . . . 1.0 112.268 -174.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 90.4 mt -64.45 -35.96 82.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.147 -0.686 . . . . 1.1 109.147 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.644 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -66.21 -39.7 89.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.015 -0.993 . . . . 2.26 110.111 174.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.49 66.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.039 -0.528 . . . . 1.24 111.318 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.52 -54.16 5.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.454 -0.339 . . . . 1.1 111.531 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -85.28 -49.4 8.21 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.217 0.532 . . . . 3.4 111.156 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.571 ' C ' ' H ' ' A' ' 89' ' ' THR . 25.4 t80 -85.2 23.6 1.25 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.37 -0.832 . . . . 2.64 109.993 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.427 ' C ' ' H ' ' A' ' 90' ' ' HIS . 5.3 p-80 -46.46 20.42 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.223 1.935 . . . . 4.09 116.223 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.571 ' H ' ' C ' ' A' ' 87' ' ' TYR . 10.3 t -83.92 24.07 0.95 Allowed 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.437 0.695 . . . . 1.46 110.551 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 89' ' ' THR . 58.5 m-70 . . . . . 0 CA--C 1.504 -0.817 0 C-N-CA 125.134 1.374 . . . . 4.28 109.19 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.432 ' HG2' ' HG1' ' A' ' 44' ' ' THR . 43.4 mt-10 . . . . . 0 C--O 1.224 -0.261 0 N-CA-C 110.305 -0.257 . . . . 3.1 110.305 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.56 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 2.6 tm-20 -55.73 -35.64 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 2.51 111.437 -172.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.452 ' O ' HG13 ' B' ' 11' ' ' ILE . 15.6 m170 -70.42 -58.01 4.18 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.993 -0.442 . . . . 2.85 111.154 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.503 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 82.8 mt -70.68 -60.96 1.95 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.221 0.534 . . . . 1.1 111.31 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -69.72 -23.35 63.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.524 -0.762 . . . . 2.41 109.701 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.605 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.1 -43.47 95.6 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.436 -0.888 . . . . 0.48 111.837 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.8 mt -65.46 -41.33 90.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.097 0.475 . . . . 1.84 109.977 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.14 -42.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.552 -0.749 . . . . 1.22 110.439 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.72 -37.07 85.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.553 -0.749 . . . . 1.95 110.992 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.605 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -61.51 -47.81 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.373 -0.376 . . . . 2.55 110.479 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.476 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.2 t80 -68.31 -36.11 78.82 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.142 0.496 . . . . 3.26 109.678 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.39 -24.19 67.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.525 -0.761 . . . . 2.85 111.093 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 3.5 111.013 -179.414 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 45.4 mt . . . . . 0 C--O 1.223 -0.316 0 CA-C-O 120.91 0.386 . . . . 3.39 110.726 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.474 -0.49 . . . . 1.88 111.894 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.535 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.3 ttmp? -60.85 -34.17 74.18 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.658 0.244 . . . . 1.93 111.658 -174.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.98 -44.37 94.57 Favored Glycine 0 C--N 1.328 0.107 0 C-N-CA 120.819 -0.705 . . . . 0.46 113.008 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.6 -41.25 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.139 0.495 . . . . 2.43 110.359 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 26.9 tp -62.64 -43.35 99.03 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 1.18 110.05 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.8 tttt -57.08 -49.2 76.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.797 -0.638 . . . . 2.4 110.976 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -55.63 -54.27 46.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.022 -0.535 . . . . 2.62 109.742 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.54 -57.18 10.77 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 116.001 -0.545 . . . . 1.11 110.389 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.7 mt -59.16 -46.79 87.45 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 112.7 0.63 . . . . 1.18 112.7 -173.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.421 HG22 ' HA ' ' B' ' 49' ' ' LYS . 26.2 p -64.75 -35.6 81.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.781 0.289 . . . . 1.64 111.781 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -96.57 -30.51 13.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 2.17 112.492 -176.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -90.8 -44.41 9.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 1.67 110.998 -173.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.418 HD22 ' CD1' ' A' ' 8' ' ' LEU . 19.3 mt -114.65 25.24 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 2.07 110.359 -171.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.503 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.8 -41.15 31.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.029 -0.987 . . . . 1.25 112.952 -177.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -102.18 11.46 38.23 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.978 0.362 . . . . 2.69 111.978 -172.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.45 ' HG1' ' HG2' ' A' ' 5' ' ' GLU . 18.6 m -108.64 -63.35 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.423 0.63 . . . . 1.19 110.479 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.548 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -80.26 131.22 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.28 -0.873 . . . . 1.13 109.517 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.464 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -55.39 125.57 21.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 123.313 0.383 . . . . 2.14 110.403 -176.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.464 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 17.2 m120 46.34 42.53 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.62 111.723 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.548 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -64.24 -3.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.91 0.862 . . . . 1.19 110.592 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' B' ' 47' ' ' ASN . 13.3 mmmm -84.28 -14.27 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.224 -0.898 . . . . 1.76 109.781 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.11 128.42 35.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.222 -0.899 . . . . 1.59 110.722 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.18 -26.92 68.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.606 -0.725 . . . . 1.5 110.045 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.76 -37.89 85.51 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.984 -0.747 . . . . 1.32 108.984 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.464 ' O ' HD11 ' B' ' 57' ' ' ILE . 30.4 t -71.39 -48.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.54 -1.209 . . . . 1.23 109.337 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.2 mt -58.96 -37.53 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.41 -0.814 . . . . 1.1 111.866 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.9 OUTLIER -65.43 -44.99 85.64 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.8 -0.815 . . . . 1.53 108.8 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 33.2 mm-40 -53.73 -49.86 67.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.892 -1.049 . . . . 1.77 111.355 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.36 -52.35 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 1.62 110.742 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.535 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 94.1 t80 -57.16 -45.23 83.82 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.298 -0.864 . . . . 2.59 110.311 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.13 -24.6 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.717 -0.674 . . . . 2.08 110.943 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.4 -26.02 72.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.723 -0.751 . . . . 0.56 111.871 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.4 OUTLIER -95.73 -44.06 7.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.083 -0.34 . . . . 1.14 110.083 179.386 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.449 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 35.8 t70 -72.96 72.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.366 -0.834 . . . . 1.4 110.084 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.97 62.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.848 . . . . 1.46 111.35 -176.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.78 -9.35 58.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.059 -0.519 . . . . 3.55 110.843 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . 0.449 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 52.0 mt-30 63.38 43.89 5.81 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.116 -0.947 . . . . 3.2 111.812 173.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -107.7 1.48 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 2.14 110.492 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.413 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 29.5 mt-10 59.06 40.25 22.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.356 -0.838 . . . . 2.01 110.502 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -135.28 117.22 15.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.384 -0.825 . . . . 2.47 109.732 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 4.4 p -93.09 107.21 18.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.67 0.748 . . . . 2.42 110.435 176.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.46 170.87 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 2.02 109.833 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -60.09 -33.47 72.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.1 0.476 . . . . 2.98 109.763 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.544 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 26.6 tt0 -65.81 -40.36 91.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.76 -0.654 . . . . 2.16 110.942 174.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 33.9 mt-10 -77.89 -29.24 50.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.343 0.592 . . . . 1.99 110.013 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.52 ' O ' HG23 ' B' ' 78' ' ' VAL . 80.8 t80 -71.42 -21.22 62.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.427 0.632 . . . . 2.55 109.302 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.644 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.9 OUTLIER -69.58 -42.95 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.529 -0.759 . . . . 1.32 109.527 176.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.527 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.6 p -66.06 -30.38 70.9 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.966 -0.561 . . . . 1.28 110.035 172.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.516 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.2 tm? -58.69 -45.81 88.65 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.777 -0.453 . . . . 1.78 109.777 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 74' ' ' PHE . 21.3 t -67.52 -26.74 36.34 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.999 -0.371 . . . . 1.15 109.999 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -64.52 -48.2 76.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.154 0.502 . . . . 1.11 109.985 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.527 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.47 -40.61 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.366 -0.834 . . . . 1.09 110.136 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.512 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -75.22 -38.48 60.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.555 -0.748 . . . . 1.0 112.28 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 90.8 mt -64.32 -35.93 82.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.618 0.723 . . . . 1.1 109.116 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.663 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -66.27 -39.77 89.65 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.023 -0.99 . . . . 2.26 110.076 174.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.56 66.84 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.142 -0.481 . . . . 1.24 111.242 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.62 -53.96 6.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 1.1 111.589 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.412 ' C ' ' H ' ' B' ' 88' ' ' HIS . 77.3 t60 -85.3 -49.79 7.88 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.454 0.645 . . . . 3.39 111.12 -177.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.541 ' C ' ' H ' ' B' ' 89' ' ' THR . 25.1 t80 -84.8 23.37 1.19 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.359 -0.837 . . . . 2.64 109.969 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.412 ' H ' ' C ' ' B' ' 86' ' ' HIS . 5.3 p-80 -46.32 20.73 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 116.237 1.94 . . . . 4.09 116.237 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.541 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.2 t -84.32 24.04 1.02 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.348 0.659 . . . . 1.47 110.527 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.495 ' HB2' ' O ' ' B' ' 89' ' ' THR . 58.9 m-70 . . . . . 0 CA--C 1.503 -0.845 0 C-N-CA 124.988 1.315 . . . . 4.28 109.38 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.517 ' HG2' ' HG1' ' B' ' 44' ' ' THR . 20.7 mt-10 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 111.393 0.146 . . . . 3.1 111.393 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.99 -47.73 44.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.002 0.43 . . . . 2.51 110.638 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -48.25 10.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.487 -0.324 . . . . 2.85 111.636 -175.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 68.8 mt -63.32 -61.01 2.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.247 0.546 . . . . 1.1 111.259 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.9 -27.54 68.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.51 -0.768 . . . . 2.41 109.572 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -45.42 93.4 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.704 -0.76 . . . . 0.48 112.348 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.68 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.983 0.42 . . . . 1.84 110.095 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.94 -43.74 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.609 -0.723 . . . . 1.22 111.005 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.31 -36.53 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.883 -0.599 . . . . 1.95 111.035 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.64 -40.72 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 2.55 110.667 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 17.8 m-85 -63.48 -43.27 97.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.236 0.541 . . . . 3.26 109.927 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.16 -21.65 66.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.36 -0.836 . . . . 2.85 110.896 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 3.5 111.571 -177.466 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.431 0.634 . . . . 3.39 109.587 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 p -103.03 -171.06 1.88 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.547 -0.751 . . . . 1.87 111.029 -176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.612 ' HB2' ' OE2' ' A' ' 67' ' ' GLU . 13.5 ttmm -53.91 -29.67 42.96 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 111.817 0.303 . . . . 1.93 111.817 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.09 89.38 Favored Glycine 0 C--O 1.235 0.168 0 C-N-CA 121.203 -0.522 . . . . 0.47 113.222 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.93 -44.07 73.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.255 0.55 . . . . 2.44 110.189 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.602 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.4 tp -63.55 -50.46 69.42 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.168 -0.924 . . . . 1.18 109.663 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HB2' HG23 ' A' ' 54' ' ' ILE . 41.5 tttp -53.35 -47.65 69.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.319 -0.855 . . . . 2.4 111.618 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 9.9 tt0 -54.73 -59.62 4.46 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.4 -0.364 . . . . 2.62 110.247 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 10.4 tt -52.17 -51.8 55.88 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.92 -0.582 . . . . 1.11 110.683 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 71.6 mt -58.42 -52.49 65.41 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.04 0.756 . . . . 1.18 113.04 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.7 p -63.07 -38.73 92.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.418 -0.356 . . . . 1.64 111.816 -172.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.3 ptmt -96.71 -31.29 12.75 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.296 0.85 . . . . 2.17 113.296 -174.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.558 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 11.5 tp10 -98.0 -39.79 8.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.638 0.256 . . . . 1.67 111.425 -168.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.0 mt -111.76 27.99 9.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.281 0.563 . . . . 2.07 109.639 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -55.28 -26.33 39.59 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 114.805 -1.089 . . . . 1.25 113.341 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -111.67 17.71 19.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.536 0.569 . . . . 2.69 112.536 -172.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.532 ' HG1' ' HG2' ' B' ' 5' ' ' GLU . 28.4 m -119.13 -67.49 0.98 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.447 0.641 . . . . 1.19 110.841 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 27.2 mt -73.64 135.08 28.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.987 -1.006 . . . . 1.14 110.442 -174.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HZ1' HG13 ' A' ' 53' ' ' VAL . 2.3 pptp? -56.13 126.61 26.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 123.248 0.342 . . . . 2.14 110.798 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.424 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 9.5 m120 46.22 40.42 7.45 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 123.847 0.717 . . . . 1.62 111.552 175.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.6 tp -61.26 -8.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.038 0.923 . . . . 1.19 110.906 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -82.42 -17.41 45.49 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.804 -1.089 . . . . 1.76 110.183 179.253 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.15 128.65 34.74 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.567 -0.742 . . . . 1.58 111.0 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.4 tmtp? -62.28 -30.74 71.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.818 -1.083 . . . . 1.51 109.855 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.32 -40.25 89.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.19 -0.67 . . . . 1.33 109.19 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 57' ' ' ILE . 30.7 t -66.75 -47.06 84.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.633 -1.167 . . . . 1.23 109.332 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 34' ' ' LYS . 68.2 mt -60.09 -41.98 88.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.783 -1.098 . . . . 1.1 111.749 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.516 ' O ' ' HG3' ' A' ' 59' ' ' GLN . 6.7 t0 -64.37 -48.28 76.08 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.75 -0.833 . . . . 1.53 108.75 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 30.6 mm-40 -54.5 -41.2 69.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.818 -1.083 . . . . 1.77 111.375 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 53' ' ' VAL . 78.9 mt -70.03 -49.63 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 116.321 -0.4 . . . . 1.62 110.588 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 30' ' ' LYS . 39.7 t80 -56.5 -43.4 79.67 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.873 -0.603 . . . . 2.59 109.881 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 80.3 mt-30 -63.58 -29.04 70.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.841 -0.618 . . . . 2.08 110.57 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.15 -25.14 75.67 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.84 -0.695 . . . . 0.56 111.571 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.31 7.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.983 -0.747 . . . . 1.14 108.983 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.73 67.07 7.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.913 -1.039 . . . . 1.4 109.649 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.61 -21.11 63.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.198 -0.91 . . . . 1.46 111.132 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -89.35 -3.2 58.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.667 -0.697 . . . . 3.54 111.148 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 58.52 40.39 23.91 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.414 -0.812 . . . . 3.2 112.007 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -98.46 -6.98 29.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.29 0.567 . . . . 2.13 110.142 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.612 ' OE2' ' HB2' ' A' ' 30' ' ' LYS . 21.3 tp10 61.61 46.86 6.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.752 -1.113 . . . . 2.02 110.453 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.88 118.92 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 2.47 110.044 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.0 p -101.05 114.88 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.404 0.621 . . . . 2.42 111.828 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.73 170.98 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.547 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -59.64 -29.66 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.754 0.311 . . . . 2.97 111.019 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.601 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.9 tt0 -68.1 -38.22 82.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.499 0.666 . . . . 2.16 110.692 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 28.2 mt-10 -75.9 -32.17 59.52 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.099 -0.501 . . . . 1.99 110.155 177.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.529 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 21.8 m-85 -62.85 -27.7 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.288 0.566 . . . . 2.55 109.709 168.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.601 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -64.92 -41.43 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.529 -0.759 . . . . 1.31 109.503 176.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 64.3 m -61.56 -35.62 78.3 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.314 -0.857 . . . . 1.27 110.201 174.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HG ' HD13 ' A' ' 33' ' ' LEU . 2.1 tm? -58.08 -45.36 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.093 -0.336 . . . . 1.78 110.093 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.2 t -63.64 -33.28 60.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 109.593 -0.521 . . . . 1.15 109.593 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.48 -50.44 73.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.957 -0.565 . . . . 1.1 110.128 176.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.21 -44.11 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 1.09 110.235 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.52 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -68.86 -43.93 74.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.93 . . . . 1.0 112.344 -175.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -67.4 -33.0 74.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.164 0.507 . . . . 1.1 110.188 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -64.28 -49.64 71.01 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.35 -0.611 . . . . 2.26 109.35 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.39 -23.48 64.37 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.932 0.345 . . . . 1.24 111.932 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.04 -60.56 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.844 0.313 . . . . 1.1 111.844 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -80.2 -38.73 30.58 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.766 0.793 . . . . 3.4 110.502 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.588 ' C ' ' H ' ' A' ' 89' ' ' THR . 36.8 t80 -89.96 23.4 2.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.711 -1.131 . . . . 2.64 109.408 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.402 ' C ' ' H ' ' A' ' 90' ' ' HIS . 16.3 p80 -46.98 19.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 115.856 1.799 . . . . 4.09 115.856 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.588 ' H ' ' C ' ' A' ' 87' ' ' TYR . 12.1 t -86.42 15.2 5.64 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.858 -0.793 . . . . 1.46 108.858 174.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 89' ' ' THR . 14.4 m-70 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-N 114.223 -1.353 . . . . 4.28 109.705 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.532 ' HG2' ' HG1' ' A' ' 44' ' ' THR . 20.3 mt-10 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 111.355 0.132 . . . . 3.1 111.355 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -49.09 -47.88 44.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 2.51 110.608 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.64 -48.09 11.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.465 -0.334 . . . . 2.85 111.798 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.52 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 68.6 mt -63.34 -60.99 2.65 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.306 0.574 . . . . 1.1 111.325 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.78 -27.97 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.527 -0.761 . . . . 2.41 109.536 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.1 -45.39 93.94 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.772 -0.728 . . . . 0.48 112.274 174.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.89 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.006 0.432 . . . . 1.84 110.053 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.88 -43.78 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.702 -0.681 . . . . 1.22 110.948 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.27 -36.87 84.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 1.95 110.917 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.37 -40.74 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 2.55 110.698 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' B' ' 74' ' ' PHE . 17.9 m-85 -63.51 -43.22 97.84 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.221 0.534 . . . . 3.26 109.877 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -65.28 -21.68 66.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.4 -0.818 . . . . 2.85 110.806 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 3.5 111.527 -177.389 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.411 0.624 . . . . 3.39 109.556 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -103.15 -171.1 1.89 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.496 -0.775 . . . . 1.88 111.063 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.617 ' HB2' ' OE2' ' B' ' 67' ' ' GLU . 13.4 ttmm -53.66 -29.99 41.15 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.882 0.327 . . . . 1.93 111.882 -177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -40.93 88.73 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.2 -0.524 . . . . 0.46 113.197 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.74 -44.25 74.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.18 0.515 . . . . 2.43 110.173 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 32.4 tp -63.49 -50.5 69.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.172 -0.922 . . . . 1.18 109.735 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -53.29 -47.9 68.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.306 -0.861 . . . . 2.4 111.592 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 9.9 tt0 -54.61 -59.33 4.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.364 -0.38 . . . . 2.62 110.272 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' B' ' 40' ' ' GLU . 10.4 tt -52.38 -51.7 57.56 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.972 -0.558 . . . . 1.11 110.624 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 72.1 mt -58.57 -52.56 65.14 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.883 0.697 . . . . 1.18 112.883 -174.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.7 p -62.89 -38.75 92.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.401 -0.363 . . . . 1.64 111.97 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.2 ptmt -96.55 -31.74 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.162 0.801 . . . . 2.17 113.162 -174.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.566 ' HB3' ' O ' ' B' ' 36' ' ' LEU . 11.2 tp10 -97.57 -39.86 8.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.628 0.251 . . . . 1.67 111.461 -168.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 8' ' ' LEU . 38.6 mt -111.66 28.11 9.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.297 0.57 . . . . 2.07 109.542 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -54.87 -27.02 39.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.766 -1.106 . . . . 1.25 113.069 -176.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -111.33 17.48 20.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.611 0.597 . . . . 2.69 112.611 -171.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.517 ' HG1' ' HG2' ' A' ' 5' ' ' GLU . 28.5 m -118.97 -67.42 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.493 0.664 . . . . 1.19 110.954 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.519 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 27.1 mt -73.62 135.15 28.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.011 -0.995 . . . . 1.13 110.489 -175.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.443 ' HZ1' HG13 ' B' ' 53' ' ' VAL . 2.3 pptp? -56.07 126.87 27.85 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.283 0.365 . . . . 2.14 110.78 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.43 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.5 m120 45.94 40.38 6.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 123.81 0.694 . . . . 1.62 111.672 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.519 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.6 tp -61.3 -8.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.932 0.872 . . . . 1.19 110.9 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -17.17 46.82 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.815 -1.084 . . . . 1.76 110.147 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.51 129.07 34.9 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.722 -0.672 . . . . 1.59 110.95 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.521 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.4 tmtp? -62.74 -30.68 71.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 1.5 109.716 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.43 -40.18 89.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.578 0.704 . . . . 1.32 109.313 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.498 ' O ' HG13 ' B' ' 57' ' ' ILE . 31.1 t -66.73 -47.25 83.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.551 -1.204 . . . . 1.23 109.249 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.92 -42.08 88.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.725 -1.125 . . . . 1.1 111.758 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' B' ' 59' ' ' GLN . 7.4 t0 -64.31 -48.33 76.04 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.781 -0.822 . . . . 1.53 108.781 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 34.8 mm-40 -54.55 -40.97 69.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.832 -1.076 . . . . 1.77 111.358 177.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 53' ' ' VAL . 78.3 mt -70.14 -49.59 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.366 -0.379 . . . . 1.62 110.591 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' B' ' 30' ' ' LYS . 39.8 t80 -56.68 -43.23 80.24 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.886 -0.597 . . . . 2.59 109.854 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 80.2 mt-30 -63.79 -28.9 70.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.764 -0.653 . . . . 2.08 110.584 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.34 -25.07 75.8 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.882 -0.675 . . . . 0.56 111.624 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.444 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.23 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.019 -0.734 . . . . 1.14 109.019 177.688 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.7 67.07 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.885 -1.052 . . . . 1.4 109.595 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.6 63.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.14 -0.936 . . . . 1.46 111.072 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -88.73 -3.68 58.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 3.55 111.242 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 58.77 40.63 22.84 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.523 -0.762 . . . . 3.2 111.983 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -98.76 -6.67 28.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 2.14 110.288 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.617 ' OE2' ' HB2' ' B' ' 30' ' ' LYS . 21.4 tp10 61.53 46.74 7.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.807 -1.088 . . . . 2.01 110.399 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -148.03 118.7 7.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.431 -0.804 . . . . 2.47 110.147 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 114.81 41.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.486 0.66 . . . . 2.42 111.815 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.77 170.92 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 2.02 109.498 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -59.6 -29.88 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.844 0.293 . . . . 2.98 110.926 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.587 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.9 tt0 -67.8 -38.24 83.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.413 0.625 . . . . 2.16 110.833 174.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 28.3 mt-10 -75.86 -32.06 59.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.068 -0.515 . . . . 1.99 110.12 177.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.535 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 21.7 m-85 -63.0 -27.85 69.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.589 -0.523 . . . . 2.55 109.589 168.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.587 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -64.69 -41.46 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.585 -0.734 . . . . 1.32 109.46 176.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.47 ' O ' HD11 ' B' ' 80' ' ' ILE . 58.7 m -61.58 -35.57 78.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.356 -0.838 . . . . 1.28 110.235 174.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.5 ' HG ' HD13 ' B' ' 33' ' ' LEU . 2.1 tm? -58.19 -45.31 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.073 -0.343 . . . . 1.78 110.073 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.1 t -63.6 -33.49 61.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.522 -0.547 . . . . 1.15 109.522 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.21 -50.45 73.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 1.11 110.128 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.47 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.34 -44.15 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.795 . . . . 1.09 110.298 175.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.523 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -68.82 -43.89 74.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.146 -0.934 . . . . 1.0 112.358 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 94.9 mt -67.38 -32.99 74.27 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.198 0.523 . . . . 1.1 110.212 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.4 OUTLIER -64.33 -49.63 70.96 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.354 -0.61 . . . . 2.26 109.354 171.672 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.59 64.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.963 0.357 . . . . 1.24 111.963 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.98 -60.29 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.916 0.339 . . . . 1.1 111.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -80.41 -38.66 29.8 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.624 0.726 . . . . 3.39 110.568 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.591 ' C ' ' H ' ' B' ' 89' ' ' THR . 37.3 t80 -90.08 23.43 2.83 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.719 -1.128 . . . . 2.64 109.441 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.2 20.1 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 115.792 1.775 . . . . 4.09 115.792 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.591 ' H ' ' C ' ' B' ' 87' ' ' TYR . 12.1 t -86.77 15.49 5.71 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.934 -0.765 . . . . 1.47 108.934 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' B' ' 89' ' ' THR . 14.4 m-70 . . . . . 0 CA--C 1.512 -0.498 0 CA-C-N 114.256 -1.338 . . . . 4.28 109.572 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.575 0.226 . . . . 3.1 110.725 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.05 -28.64 64.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.431 0.634 . . . . 2.51 110.148 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.512 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 93.2 m-70 -74.04 -46.46 43.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 2.85 109.675 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 88.7 mt -60.14 -59.07 6.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.262 0.553 . . . . 1.1 110.915 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.68 -26.19 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.493 -0.776 . . . . 2.41 110.83 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.515 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -69.57 -33.41 71.95 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.089 -0.577 . . . . 0.48 111.773 176.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.445 HG22 HG21 ' A' ' 78' ' ' VAL . 30.8 mm -70.44 -37.8 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.549 0.69 . . . . 1.84 109.219 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.6 t -64.92 -27.13 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.55 -0.75 . . . . 1.22 110.472 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.33 -44.05 72.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.8 -0.636 . . . . 1.95 110.263 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 pt -72.19 -23.44 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.693 -0.403 . . . . 2.55 110.574 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -61.24 -46.49 90.18 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.142 -0.688 . . . . 3.26 109.142 169.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -67.09 -20.97 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.928 -1.033 . . . . 2.85 110.393 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.05 -0.523 . . . . 3.5 112.003 -177.245 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 68.9 mt . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 121.15 0.5 . . . . 3.39 110.739 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -99.58 -171.5 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.198 -0.455 . . . . 1.87 109.874 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 18.7 ttmt -61.99 -25.82 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.616 0.228 . . . . 1.93 111.616 -173.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.48 99.69 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.736 -0.745 . . . . 0.47 112.532 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.05 -43.36 87.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.473 0.654 . . . . 2.44 109.823 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 16.9 tp -60.87 -49.94 75.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.89 -1.05 . . . . 1.18 109.992 176.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HA ' HD11 ' A' ' 54' ' ' ILE . 1.6 tmtp? -56.23 -49.56 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.964 -1.016 . . . . 2.4 110.77 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.637 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 56.1 tt0 -52.13 -61.9 1.98 Allowed 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 123.343 0.402 . . . . 2.62 110.017 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -53.32 -53.65 47.87 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.567 0.542 . . . . 1.11 111.265 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 63.2 mt -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.849 0.685 . . . . 1.18 112.849 -173.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.7 p -64.78 -34.9 79.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.851 0.315 . . . . 1.64 111.851 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.5 ptmm? -97.34 -34.35 11.09 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.865 0.691 . . . . 2.17 112.865 -175.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' HG3' ' A' ' 39' ' ' LYS . 7.0 mm-40 -96.17 -36.35 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 1.67 111.03 -170.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 mp -115.09 27.43 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.285 0.564 . . . . 2.07 109.706 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.01 -34.01 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.725 -1.125 . . . . 1.25 113.795 -173.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -109.72 9.74 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.179 0.514 . . . . 2.69 111.03 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.6 -63.52 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.433 0.635 . . . . 1.19 110.469 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.547 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 54.2 mt -80.66 136.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.246 -0.888 . . . . 1.14 110.16 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.65 124.12 17.26 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.643 -0.253 . . . . 2.14 111.223 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 49' ' ' LYS . 2.6 t-20 42.87 46.87 4.71 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.83 0.824 . . . . 1.62 110.709 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.547 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 5.5 tp -66.04 3.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.976 -1.011 . . . . 1.19 110.148 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.571 ' H ' ' C ' ' A' ' 47' ' ' ASN . 13.8 mmmm -97.64 -1.34 43.89 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.742 -0.663 . . . . 1.76 109.64 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 3.0 t70 -101.2 133.6 45.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.329 -0.85 . . . . 1.58 110.484 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.43 -20.39 65.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.618 -0.719 . . . . 1.51 110.322 178.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -71.17 -36.3 71.95 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.736 -0.838 . . . . 1.33 108.736 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.8 t -75.78 -45.39 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.816 -1.083 . . . . 1.23 109.275 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 34' ' ' LYS . 59.4 mt -59.53 -38.26 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.786 -1.097 . . . . 1.1 111.011 176.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.26 -49.59 71.28 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.67 -0.695 . . . . 1.53 110.05 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 19.8 mm-40 -49.36 -45.94 46.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.063 -0.971 . . . . 1.77 111.149 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.632 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.7 mt -72.5 -54.42 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 116.387 -0.369 . . . . 1.62 110.926 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 85.2 t80 -50.96 -50.74 57.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.856 -0.611 . . . . 2.59 111.062 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -69.82 -20.68 63.43 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.274 -0.875 . . . . 2.08 110.688 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.37 -23.91 69.58 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.061 -0.59 . . . . 0.56 112.137 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -92.96 -43.1 9.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.374 -0.973 . . . . 1.14 108.374 177.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.36 73.3 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 1.4 109.987 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.66 -16.75 63.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 1.46 110.63 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -20.29 56.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 3.54 109.711 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 59.96 40.78 18.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.051 -0.977 . . . . 3.2 110.849 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.8 1.21 28.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 2.13 110.054 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 66.67 36.59 4.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.064 -0.971 . . . . 2.02 109.679 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -143.08 117.59 9.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.714 -1.13 . . . . 2.47 110.233 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 18.3 m -110.84 125.39 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.123 0.487 . . . . 2.42 110.452 173.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.43 170.37 16.25 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.178 -0.675 . . . . 2.02 109.178 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.81 -29.51 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.955 0.407 . . . . 2.97 110.4 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 28.3 tt0 -69.32 -41.5 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 2.16 111.484 175.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.06 -33.32 67.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.111 0.481 . . . . 1.99 109.888 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.642 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 1.2 t80 -68.11 -21.29 64.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.719 0.771 . . . . 2.55 109.083 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -71.53 -35.22 55.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.194 -0.912 . . . . 1.31 109.477 174.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.524 ' O ' HD12 ' A' ' 80' ' ' ILE . 28.4 m -64.44 -35.71 81.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.49 -0.777 . . . . 1.27 109.33 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.642 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.1 tm? -54.54 -47.0 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.988 0.423 . . . . 1.78 110.1 175.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.539 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.5 t -63.94 -33.25 60.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 CA-C-N 115.958 -0.565 . . . . 1.15 109.872 -177.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -61.8 -45.2 94.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.334 0.587 . . . . 1.1 110.319 175.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -61.02 -41.3 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.25 -0.886 . . . . 1.09 110.273 175.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -69.83 -34.49 73.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 1.0 111.431 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -68.92 -40.22 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.501 . . . . 1.1 110.115 176.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.494 ' HG2' HD13 ' B' ' 75' ' ' ILE . 7.8 mmmm -59.25 -49.17 78.87 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 109.06 -0.718 . . . . 2.26 109.06 171.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -62.13 -21.61 65.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.276 -0.42 . . . . 1.24 111.975 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -79.94 -53.53 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.005 0.372 . . . . 1.1 112.005 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.95 -39.17 18.45 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.78 0.8 . . . . 3.4 110.497 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.57 ' C ' ' H ' ' A' ' 89' ' ' THR . 33.6 t80 -89.66 23.44 2.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.48 -1.236 . . . . 2.64 109.02 177.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 18.4 t-80 -48.53 19.89 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.068 1.747 . . . . 4.09 115.083 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.57 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.7 t -75.28 -31.29 60.68 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.599 -0.889 . . . . 1.46 108.599 172.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 m80 . . . . . 0 N--CA 1.465 0.295 0 C-N-CA 123.986 0.915 . . . . 4.28 110.14 178.807 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.588 0.232 . . . . 3.1 110.774 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -57.95 -28.52 64.4 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.44 0.638 . . . . 2.51 110.255 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.515 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 93.3 m-70 -74.1 -46.6 41.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 2.85 109.611 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.448 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 88.5 mt -60.08 -59.06 6.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.262 0.553 . . . . 1.1 110.893 174.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.86 -26.06 67.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.625 -0.716 . . . . 2.41 110.774 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -69.51 -33.39 72.18 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.96 -0.638 . . . . 0.48 111.832 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.456 HG22 HG21 ' B' ' 78' ' ' VAL . 30.7 mm -70.38 -37.86 72.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.648 0.737 . . . . 1.84 109.196 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' B' ' 15' ' ' PHE . 82.3 t -64.95 -27.16 41.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.535 -0.757 . . . . 1.22 110.424 175.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.2 -44.28 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 1.95 110.354 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.2 pt -72.12 -23.46 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.686 -0.405 . . . . 2.55 110.663 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 13.5 m-30 -61.07 -46.15 91.85 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.27 -0.641 . . . . 3.26 109.27 169.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -67.59 -20.66 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.957 -1.019 . . . . 2.85 110.441 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 3.5 111.879 -177.522 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 68.4 mt . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.183 0.516 . . . . 3.39 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.2 t -99.53 -171.19 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.756 -0.461 . . . . 1.88 109.756 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.49 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 18.8 ttmt -62.35 -25.74 68.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.622 0.231 . . . . 1.93 111.622 -173.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.7 -42.82 99.64 Favored Glycine 0 N--CA 1.455 -0.048 0 C-N-CA 120.934 -0.65 . . . . 0.46 112.597 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.47 -43.71 89.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.413 0.625 . . . . 2.43 109.856 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 17.0 tp -60.74 -49.88 75.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.958 -1.019 . . . . 1.18 109.919 176.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.463 ' HA ' HD11 ' B' ' 54' ' ' ILE . 1.6 tmtp? -56.41 -49.34 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.056 -0.974 . . . . 2.4 110.72 -178.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 56.5 tt0 -52.34 -61.81 2.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.355 0.409 . . . . 2.62 110.032 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -53.39 -53.57 49.24 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.9 -0.591 . . . . 1.11 111.221 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 63.6 mt -62.04 -47.96 82.39 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.81 0.67 . . . . 1.18 112.81 -173.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 31.1 p -64.66 -34.9 79.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.854 0.316 . . . . 1.64 111.854 -174.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.6 ptmm? -97.31 -34.19 11.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.908 0.707 . . . . 2.17 112.908 -175.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.51 ' OE1' ' HG3' ' B' ' 39' ' ' LYS . 6.7 mm-40 -96.2 -36.32 10.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.87 0.367 . . . . 1.67 111.108 -170.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.18 27.54 9.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.372 0.606 . . . . 2.07 109.771 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.85 -34.67 55.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.732 -1.122 . . . . 1.25 113.751 -173.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -109.45 9.92 25.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.282 0.563 . . . . 2.69 111.02 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.62 -63.9 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.466 0.651 . . . . 1.19 110.335 -174.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.4 mt -80.17 136.5 23.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.176 -0.92 . . . . 1.13 110.046 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.89 124.4 18.45 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.545 -0.298 . . . . 2.14 111.168 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.56 ' C ' ' H ' ' B' ' 49' ' ' LYS . 2.7 t-20 42.48 46.85 4.24 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.842 0.83 . . . . 1.62 110.798 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 5.5 tp -65.92 3.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.044 -0.98 . . . . 1.19 110.181 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.56 ' H ' ' C ' ' B' ' 47' ' ' ASN . 13.8 mmmm -97.47 -1.78 43.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.871 -0.604 . . . . 1.76 109.697 -177.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.426 ' HB2' ' OD1' ' B' ' 47' ' ' ASN . 2.8 t70 -100.69 133.34 45.28 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.209 -0.905 . . . . 1.59 110.612 178.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.49 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.4 -20.44 65.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 1.5 110.191 178.013 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.82 -36.68 73.06 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.826 -0.805 . . . . 1.32 108.826 175.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 37.2 t -75.71 -45.31 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.632 -1.167 . . . . 1.23 109.299 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.463 HD11 ' HA ' ' B' ' 34' ' ' LYS . 59.6 mt -59.53 -38.23 74.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.87 -1.059 . . . . 1.1 110.95 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.36 -49.44 71.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 115.643 -0.708 . . . . 1.53 110.004 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -49.24 -46.09 45.56 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.048 -0.978 . . . . 1.77 111.375 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.633 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.9 mt -72.54 -54.41 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.177 -0.465 . . . . 1.62 110.927 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.454 ' HB2' ' CD2' ' B' ' 33' ' ' LEU . 85.4 t80 -50.93 -50.61 57.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 2.59 111.181 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -69.91 -20.63 63.36 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.286 -0.87 . . . . 2.08 110.565 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.14 -24.7 68.16 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.989 -0.624 . . . . 0.56 112.149 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.5 OUTLIER -92.45 -43.25 9.3 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.366 -0.976 . . . . 1.14 108.366 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -80.32 73.48 7.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.755 -1.111 . . . . 1.4 110.005 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -16.5 63.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.368 -0.833 . . . . 1.46 110.654 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -20.23 56.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.439 0.637 . . . . 3.55 109.652 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 59.84 41.28 18.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 114.822 -1.081 . . . . 3.2 110.699 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.94 1.05 28.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 2.14 110.063 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 66.61 37.09 4.55 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.15 -0.932 . . . . 2.01 109.75 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -143.5 117.75 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.731 -1.122 . . . . 2.47 110.113 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 18.2 m -111.27 124.95 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.177 0.513 . . . . 2.42 110.529 173.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.96 170.27 16.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 2.02 109.243 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.82 -29.6 62.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.939 0.4 . . . . 2.98 110.346 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.526 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 28.2 tt0 -69.28 -41.52 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 2.16 111.504 175.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.07 -33.17 67.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.124 0.487 . . . . 1.99 109.891 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.642 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 1.2 t80 -68.2 -21.47 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.718 0.77 . . . . 2.55 109.027 173.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -71.46 -35.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.196 -0.911 . . . . 1.32 109.541 174.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.508 ' O ' HD12 ' B' ' 80' ' ' ILE . 27.4 m -64.31 -35.74 81.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.45 -0.795 . . . . 1.28 109.479 172.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.642 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.1 tm? -54.57 -47.08 73.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.303 -0.408 . . . . 1.78 110.009 175.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.2 t -63.74 -33.43 61.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 116.01 -0.541 . . . . 1.15 109.958 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -61.74 -45.2 94.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.323 0.582 . . . . 1.11 110.3 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.508 HD12 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.99 -41.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.253 -0.885 . . . . 1.09 110.289 175.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -69.83 -34.42 73.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.46 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.3 mt -68.94 -40.17 79.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.087 -0.506 . . . . 1.1 110.079 176.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.491 ' HG2' HD13 ' A' ' 75' ' ' ILE . 7.6 mmmm -59.32 -49.09 79.15 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.967 -0.753 . . . . 2.26 108.967 171.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' B' ' 88' ' ' HIS . . . -62.22 -21.63 65.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.178 -0.465 . . . . 1.24 111.958 178.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.01 -53.6 6.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.942 0.349 . . . . 1.1 111.942 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.74 -39.19 18.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.768 0.794 . . . . 3.39 110.547 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.58 ' C ' ' H ' ' B' ' 89' ' ' THR . 34.5 t80 -89.65 23.18 2.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.539 -1.21 . . . . 2.64 108.967 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 18.1 t-80 -48.32 20.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.19 1.796 . . . . 4.09 115.164 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.58 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.1 t -75.49 -31.93 60.38 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.384 -0.969 . . . . 1.47 108.384 172.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 m80 . . . . . 0 N--CA 1.465 0.286 0 CA-C-N 115.13 -0.941 . . . . 4.28 110.111 179.043 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.393 0.616 . . . . 3.1 110.175 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.68 -18.86 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.339 -0.846 . . . . 2.51 110.672 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.598 ' O ' HG13 ' A' ' 11' ' ' ILE . 24.0 m-70 -71.34 -49.49 41.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.496 -0.32 . . . . 2.85 110.72 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.538 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 75.0 mt -63.31 -60.74 3.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.976 0.417 . . . . 1.1 111.334 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.94 -22.44 66.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.767 -0.651 . . . . 2.41 109.926 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.662 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -72.85 -35.94 58.02 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.316 -0.856 . . . . 0.48 112.636 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 7' ' ' HIS . 56.8 mt -74.42 -39.48 48.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.229 -0.656 . . . . 1.84 109.229 178.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' B' ' 86' ' ' HIS . 69.0 t -55.32 -39.43 52.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.153 -0.93 . . . . 1.22 110.007 169.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.25 -32.71 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.06 -0.973 . . . . 1.95 111.007 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 10' ' ' GLY . 73.5 mt -64.74 -42.55 95.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.925 0.393 . . . . 2.55 110.594 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.88 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.726 -0.472 . . . . 3.26 109.726 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -72.97 -24.71 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 2.85 110.96 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 3.5 111.56 -174.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.447 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 1.1 pt? . . . . . 0 C--O 1.233 0.2 0 CA-C-O 122.28 1.038 . . . . 3.39 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -100.06 -170.51 1.89 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.775 -1.102 . . . . 1.87 110.389 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 22.5 ttmt -60.31 -23.76 64.45 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 122.443 -0.161 . . . . 1.93 111.429 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.43 -57.58 16.66 Favored Glycine 0 C--O 1.235 0.178 0 C-N-CA 121.412 -0.423 . . . . 0.47 114.103 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.62 -38.15 77.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.589 0.218 . . . . 2.44 111.589 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.65 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 23.1 tp -57.56 -51.48 69.29 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.193 -0.669 . . . . 1.18 109.193 175.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 54' ' ' ILE . 26.5 ttpp -49.59 -51.35 37.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.59 -1.187 . . . . 2.4 111.255 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.748 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 6.3 mm100 -61.42 -59.99 4.41 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 116.194 -0.457 . . . . 2.62 110.838 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -47.77 -42.9 26.85 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.414 0.626 . . . . 1.11 110.724 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 82.3 mt -68.44 -49.62 58.62 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.086 -0.507 . . . . 1.18 112.33 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -71.88 -27.51 62.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.66 0.244 . . . . 1.64 111.66 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.748 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.04 -36.36 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.795 0.665 . . . . 2.17 112.795 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 9.2 mm-40 -98.1 -42.22 7.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 1.67 110.812 -171.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' HG ' HD12 ' B' ' 8' ' ' LEU . 6.6 mp -103.41 24.77 10.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.434 0.635 . . . . 2.07 109.781 -178.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -51.28 -32.07 23.42 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.445 -1.252 . . . . 1.25 114.359 -172.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -108.29 -1.96 19.64 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.762 -0.375 . . . . 2.69 111.611 -171.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -96.62 -58.48 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.472 0.653 . . . . 1.19 110.457 -171.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.569 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.2 mt -82.03 139.78 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.969 -1.014 . . . . 1.14 109.907 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 123.76 18.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 123.167 0.292 . . . . 2.14 110.295 -175.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 49' ' ' LYS . 4.4 m-20 42.6 43.86 3.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.977 0.798 . . . . 1.62 111.828 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.569 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.8 tp -61.84 -5.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.98 0.895 . . . . 1.19 111.149 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 47' ' ' ASN . 10.7 mmmm -79.01 -20.65 48.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.159 -0.928 . . . . 1.76 109.862 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -84.24 128.12 34.37 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.406 -0.815 . . . . 1.58 111.249 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.9 tmtp? -62.21 -28.99 70.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.741 -1.118 . . . . 1.51 109.955 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.57 77.5 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.276 0.56 . . . . 1.33 109.527 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 57' ' ' ILE . 14.1 t -67.79 -44.8 85.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.922 -1.035 . . . . 1.23 108.935 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 34' ' ' LYS . 69.1 mt -61.99 -38.44 80.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.653 -1.158 . . . . 1.1 111.001 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 31.3 t70 -63.07 -51.03 68.26 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.47 -0.786 . . . . 1.53 109.2 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.28 -45.09 44.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.713 -1.13 . . . . 1.77 111.439 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.654 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.9 mt -72.4 -52.48 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.29 -0.413 . . . . 1.62 110.807 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 69' ' ' VAL . 83.1 t80 -50.48 -47.06 57.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.71 -0.677 . . . . 2.59 110.849 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.4 mm-40 -62.78 -34.36 77.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.457 -0.792 . . . . 2.08 110.385 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.21 -26.1 74.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.969 -0.634 . . . . 0.56 112.602 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -89.21 -44.6 10.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.102 -0.703 . . . . 1.14 109.102 179.392 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -70.87 73.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.305 -0.861 . . . . 1.4 110.833 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 -16.41 62.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.174 -0.921 . . . . 1.46 109.954 176.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -20.53 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.418 -0.81 . . . . 3.54 109.778 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 56.21 35.1 25.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.783 -1.099 . . . . 3.2 110.758 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -114.95 0.39 13.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 2.13 110.488 -175.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 69.14 37.57 2.12 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.206 -0.906 . . . . 2.02 110.351 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -137.54 117.45 13.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 2.47 109.36 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG13 ' CE1' ' A' ' 58' ' ' PHE . 3.8 m -97.16 107.75 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.374 0.606 . . . . 2.42 111.019 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.97 176.18 4.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 2.02 109.556 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -59.67 -28.35 67.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.508 -0.553 . . . . 2.97 109.508 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 7.6 tt0 -65.56 -44.37 86.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.274 0.559 . . . . 2.16 110.584 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -67.02 -28.25 68.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.743 0.782 . . . . 1.99 109.862 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 78' ' ' VAL . 76.7 t80 -73.33 -25.34 60.59 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.495 -0.775 . . . . 2.55 110.066 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.1 mp -62.42 -44.62 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.379 -0.6 . . . . 1.31 109.379 174.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.587 ' O ' HD12 ' A' ' 80' ' ' ILE . 2.3 p -74.32 -28.31 61.1 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.821 -0.627 . . . . 1.27 110.7 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.451 ' HB2' HD11 ' A' ' 61' ' ' LEU . 2.4 tm? -58.54 -47.6 83.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.976 0.417 . . . . 1.78 109.984 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.9 t -68.66 -28.31 39.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.13 -0.486 . . . . 1.15 110.271 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -58.28 -50.24 74.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.529 0.681 . . . . 1.1 109.55 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.46 -41.78 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.025 -0.989 . . . . 1.09 110.461 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -71.82 -39.8 69.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.396 -0.82 . . . . 1.0 112.506 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' HB2' HG13 ' B' ' 75' ' ' ILE . 94.8 mt -64.32 -41.76 96.65 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.53 0.681 . . . . 1.1 109.882 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 8.7 tptm -65.71 -33.77 76.65 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.929 -1.032 . . . . 2.26 109.148 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.13 -22.92 62.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.504 -0.317 . . . . 1.24 111.05 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -83.29 -60.22 2.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.852 0.315 . . . . 1.1 111.852 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.412 ' HB2' ' CG1' ' B' ' 12' ' ' VAL . 1.5 t60 -77.68 -46.47 21.81 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.427 0.632 . . . . 3.4 110.842 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.627 ' C ' ' H ' ' A' ' 89' ' ' THR . 22.9 t80 -86.63 24.81 1.36 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.859 -1.064 . . . . 2.64 109.609 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.481 ' C ' ' H ' ' A' ' 90' ' ' HIS . 31.6 t60 -48.84 17.99 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.085 1.754 . . . . 4.09 114.602 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.627 ' H ' ' C ' ' A' ' 87' ' ' TYR . 15.0 t -81.82 15.82 2.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.891 -0.781 . . . . 1.46 108.891 172.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.481 ' H ' ' C ' ' A' ' 88' ' ' HIS . 30.2 m80 . . . . . 0 CA--C 1.51 -0.585 0 CA-C-N 114.162 -1.381 . . . . 4.28 109.189 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.427 0.632 . . . . 3.1 110.192 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.39 -18.9 62.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.092 -0.958 . . . . 2.51 110.662 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.594 ' O ' HG13 ' B' ' 11' ' ' ILE . 23.6 m-70 -71.49 -49.51 40.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.462 -0.335 . . . . 2.85 110.562 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.527 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 76.4 mt -63.25 -60.68 3.08 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.928 0.394 . . . . 1.1 111.245 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -22.38 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.777 -0.647 . . . . 2.41 109.994 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.659 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -72.49 -36.34 59.07 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.423 -0.808 . . . . 0.48 112.623 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.594 HG13 ' O ' ' B' ' 7' ' ' HIS . 56.6 mt -74.26 -39.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.308 -0.627 . . . . 1.84 109.308 178.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 85' ' ' ALA . 64.9 t -55.53 -39.68 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.183 -0.917 . . . . 1.22 109.968 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.02 -32.44 72.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.013 -0.994 . . . . 1.95 111.109 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.659 HG13 ' O ' ' B' ' 10' ' ' GLY . 73.9 mt -64.9 -42.63 95.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 120.922 0.391 . . . . 2.55 110.622 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.61 -35.29 80.53 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.74 -0.467 . . . . 3.26 109.74 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -72.6 -24.95 61.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 2.85 110.946 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 3.5 111.523 -174.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.456 ' H ' ' CD2' ' B' ' 28' ' ' LEU . 1.1 pt? . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 122.292 1.044 . . . . 3.39 110.943 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -100.1 -170.48 1.88 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.754 -1.112 . . . . 1.88 110.451 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.533 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 22.4 ttmt -60.21 -23.62 64.17 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 111.509 0.189 . . . . 1.93 111.509 -176.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.56 17.08 Favored Glycine 0 C--O 1.235 0.174 0 N-CA-C 114.1 0.4 . . . . 0.46 114.1 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.83 -38.08 76.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.51 0.189 . . . . 2.43 111.51 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -57.52 -51.59 68.86 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.238 -0.653 . . . . 1.18 109.238 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.448 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 26.4 ttpp -49.45 -51.28 36.74 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.568 -1.196 . . . . 2.4 111.219 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.744 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 6.4 mm100 -61.58 -60.14 4.15 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.227 -0.442 . . . . 2.62 110.814 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -47.47 -42.9 23.66 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.566 0.698 . . . . 1.11 110.735 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 82.4 mt -68.64 -49.46 58.94 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 116.087 -0.506 . . . . 1.18 112.252 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.2 t -71.96 -27.39 62.75 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.687 0.255 . . . . 1.64 111.687 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.744 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -97.11 -36.43 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.71 0.634 . . . . 2.17 112.71 -179.294 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 7.6 mm-40 -98.12 -42.2 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 1.67 110.772 -171.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 8' ' ' LEU . 6.6 mp -103.49 24.78 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 2.07 109.712 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.427 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -51.32 -32.27 24.64 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 114.388 1.255 . . . . 1.25 114.388 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -107.69 -2.77 19.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.917 0.389 . . . . 2.69 111.702 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -96.11 -58.63 2.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.553 0.692 . . . . 1.19 110.389 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.2 mt -81.95 139.57 17.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.949 -1.023 . . . . 1.13 109.927 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 123.51 17.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.199 0.312 . . . . 2.14 110.387 -175.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' B' ' 49' ' ' LYS . 4.3 m-20 42.69 43.84 3.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.999 0.812 . . . . 1.62 111.832 177.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.9 tp -61.81 -5.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.895 0.855 . . . . 1.19 111.05 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' B' ' 47' ' ' ASN . 10.8 mmmm -79.05 -20.9 47.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.217 -0.902 . . . . 1.76 109.782 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.07 128.43 34.55 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.382 -0.826 . . . . 1.59 111.112 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.533 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.9 tmtp? -62.75 -28.88 70.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.828 -1.078 . . . . 1.5 109.968 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.65 77.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.407 -0.59 . . . . 1.32 109.407 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.432 ' O ' HG13 ' B' ' 57' ' ' ILE . 13.9 t -67.68 -44.7 85.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.993 -1.003 . . . . 1.23 108.946 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.448 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 69.2 mt -62.21 -38.14 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.691 -1.14 . . . . 1.1 110.961 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.609 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 28.2 t70 -63.37 -50.96 67.86 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.436 -0.802 . . . . 1.53 109.219 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -49.25 -45.09 44.28 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.741 -1.118 . . . . 1.77 111.384 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.647 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.4 mt -72.28 -52.45 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.331 -0.395 . . . . 1.62 110.886 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.458 ' CE1' HG13 ' B' ' 69' ' ' VAL . 82.7 t80 -50.68 -47.06 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 2.59 110.766 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.8 mm-40 -62.92 -34.11 76.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.804 . . . . 2.08 110.381 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.04 -26.55 73.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.939 -0.648 . . . . 0.56 112.551 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.7 OUTLIER -88.85 -44.83 10.2 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.137 -0.69 . . . . 1.14 109.137 179.518 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -70.57 74.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.24 -0.891 . . . . 1.4 110.899 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.4 -16.36 62.95 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.111 -0.95 . . . . 1.46 109.971 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -20.48 60.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.566 -0.743 . . . . 3.55 109.901 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 56.35 35.16 25.41 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.815 -1.084 . . . . 3.2 110.602 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -114.86 0.24 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.897 -0.592 . . . . 2.14 110.313 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 68.92 37.64 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.315 -0.857 . . . . 2.01 110.35 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -137.35 117.62 13.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.42 -0.809 . . . . 2.47 109.336 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.458 HG13 ' CE1' ' B' ' 58' ' ' PHE . 3.9 m -97.34 107.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.345 0.593 . . . . 2.42 111.156 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.84 176.27 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.689 -0.687 . . . . 2.02 109.579 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -59.85 -28.22 67.32 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.444 -0.576 . . . . 2.98 109.444 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.512 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 7.5 tt0 -65.61 -44.29 87.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.248 0.547 . . . . 2.16 110.668 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -67.19 -28.12 67.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.601 0.715 . . . . 1.99 109.683 175.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.43 ' O ' HG23 ' B' ' 78' ' ' VAL . 77.1 t80 -73.32 -25.4 60.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.639 -0.71 . . . . 2.55 110.023 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.1 mp -62.46 -44.56 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 109.384 -0.599 . . . . 1.32 109.384 174.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.586 ' O ' HD12 ' B' ' 80' ' ' ILE . 2.3 p -74.32 -28.28 61.09 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.802 -0.636 . . . . 1.28 110.709 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.456 ' HG ' HD12 ' B' ' 33' ' ' LEU . 2.4 tm? -58.59 -47.62 83.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 1.78 109.967 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 44.7 t -68.73 -28.13 38.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 1.15 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -58.41 -50.21 74.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.466 0.651 . . . . 1.11 109.513 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.586 HD12 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.19 -42.05 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.068 -0.969 . . . . 1.09 110.428 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.538 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -71.85 -39.6 69.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.405 -0.816 . . . . 1.0 112.532 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 94.8 mt -64.37 -41.96 96.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.515 0.674 . . . . 1.1 109.776 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 8.7 tptm -65.55 -33.62 76.33 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.941 -1.027 . . . . 2.26 109.27 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . . . -70.37 -22.81 62.73 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.47 -0.332 . . . . 1.24 111.129 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -83.33 -60.52 2.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.508 -0.315 . . . . 1.1 111.73 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.42 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 1.5 t60 -77.41 -46.26 23.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.552 0.691 . . . . 3.39 110.952 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.628 ' C ' ' H ' ' B' ' 89' ' ' THR . 23.5 t80 -86.93 24.72 1.44 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.913 -1.04 . . . . 2.64 109.503 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.475 ' C ' ' H ' ' B' ' 90' ' ' HIS . 30.9 t60 -48.73 18.25 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.018 1.727 . . . . 4.09 114.648 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.628 ' H ' ' C ' ' B' ' 87' ' ' TYR . 15.1 t -82.09 15.59 2.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.036 -0.727 . . . . 1.47 109.036 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' B' ' 88' ' ' HIS . 31.0 m80 . . . . . 0 CA--C 1.51 -0.569 0 CA-C-N 114.014 -1.448 . . . . 4.28 109.274 -175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.184 0.516 . . . . 3.1 109.655 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.83 -25.65 65.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.638 -0.71 . . . . 2.51 110.896 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.6 m-70 -78.83 -50.65 10.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.257 -0.429 . . . . 2.85 110.064 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' CD1' ' HB2' ' B' ' 81' ' ' ALA . 84.8 mt -62.46 -60.3 3.74 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.613 0.57 . . . . 1.1 110.767 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.01 -32.61 72.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.231 -0.895 . . . . 2.41 110.608 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.25 92.86 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.945 -0.571 . . . . 0.48 112.631 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.487 ' O ' HG21 ' A' ' 14' ' ' ILE . 29.2 mm -66.96 -41.68 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.64 0.733 . . . . 1.84 109.662 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -64.07 -45.84 95.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.087 -0.96 . . . . 1.22 111.363 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.68 -40.08 94.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 1.95 111.227 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.487 HG21 ' O ' ' A' ' 11' ' ' ILE . 10.0 tp -70.56 -28.03 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.847 -0.341 . . . . 2.55 110.733 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.5 t80 -70.4 -36.14 73.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.579 -0.526 . . . . 3.26 109.579 175.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -70.43 -19.98 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.576 -0.738 . . . . 2.85 110.165 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 3.5 110.669 179.042 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 120.954 0.407 . . . . 3.39 110.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -103.37 -171.71 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.578 -0.283 . . . . 1.87 111.27 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 20.7 ttmt -64.86 -25.43 67.89 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.939 -0.304 . . . . 1.93 110.826 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.73 -53.83 34.0 Favored Glycine 0 CA--C 1.505 -0.546 0 CA-C-O 121.564 0.536 . . . . 0.47 112.407 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -76.04 -38.65 56.95 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.288 -0.956 . . . . 2.44 110.831 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.597 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 25.0 tp -60.98 -47.99 83.88 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.354 -0.839 . . . . 1.18 109.033 175.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HG3' HD13 ' A' ' 54' ' ' ILE . 4.4 ttpm? -54.25 -50.53 67.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.68 . . . . 2.4 110.53 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 8.7 tt0 -53.45 -59.42 4.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.917 -0.583 . . . . 2.62 110.492 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.55 -51.93 63.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 120.942 0.401 . . . . 1.11 110.848 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 84.5 mt -63.62 -47.82 79.8 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.61 0.596 . . . . 1.18 112.61 -173.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 32.5 p -64.5 -33.23 75.42 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.677 0.251 . . . . 1.64 111.677 -174.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -96.17 -37.13 10.7 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.404 0.52 . . . . 2.17 112.404 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.459 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 59.6 mm-40 -90.34 -47.01 8.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.126 -0.23 . . . . 1.67 111.459 -170.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.27 30.31 6.53 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.396 0.617 . . . . 2.07 110.573 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.518 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -58.05 -24.06 56.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.069 -0.969 . . . . 1.25 111.814 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -98.87 -5.17 31.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.871 -0.604 . . . . 2.69 111.322 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.25 -62.39 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.45 0.643 . . . . 1.19 110.987 -170.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.9 mt -80.68 131.32 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.313 -0.858 . . . . 1.14 110.399 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.67 30.88 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.219 0.325 . . . . 2.14 110.702 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.438 ' C ' ' H ' ' A' ' 49' ' ' LYS . 4.0 m-20 44.54 41.43 4.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.713 -0.676 . . . . 1.62 112.023 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.3 tp -65.41 -4.37 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 122.048 0.928 . . . . 1.19 110.377 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -82.02 -18.33 43.68 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.773 -1.103 . . . . 1.76 109.792 179.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.06 127.55 33.67 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.292 -0.867 . . . . 1.58 110.759 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.31 -23.85 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.625 -0.716 . . . . 1.51 109.882 178.483 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.03 74.97 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.969 -0.752 . . . . 1.33 108.969 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 57' ' ' ILE . 42.4 t -71.96 -45.83 62.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.742 -1.117 . . . . 1.23 109.428 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.49 HD13 ' HG3' ' A' ' 34' ' ' LYS . 95.9 mt -60.08 -42.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.091 -0.959 . . . . 1.1 111.305 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.9 t70 -63.79 -48.36 77.2 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.949 -0.569 . . . . 1.53 109.999 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -47.87 -45.84 30.79 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.728 -0.669 . . . . 1.77 111.113 175.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 mm -73.31 -52.82 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 116.333 -0.394 . . . . 1.62 110.894 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -50.73 -48.55 58.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.551 -0.749 . . . . 2.59 110.79 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mm-40 -64.42 -30.53 71.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.224 -0.898 . . . . 2.08 110.657 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.99 75.99 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.908 -0.663 . . . . 0.56 112.369 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -93.6 -43.15 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.148 -0.686 . . . . 1.14 109.148 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -79.75 73.84 6.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.011 -0.995 . . . . 1.4 110.206 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.46 -16.02 60.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.342 -0.845 . . . . 1.46 110.199 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.33 -20.23 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.437 -0.801 . . . . 3.54 110.414 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 62.97 37.28 11.98 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.919 -1.037 . . . . 3.2 111.141 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -107.67 -2.65 19.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.495 . . . . 2.13 110.761 -175.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 68.15 41.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.358 -0.837 . . . . 2.02 111.718 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -151.75 117.87 5.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.074 -0.512 . . . . 2.47 110.228 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -101.51 125.22 55.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.443 0.639 . . . . 2.42 111.22 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -82.9 -175.59 5.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.763 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -64.46 -30.0 71.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.754 0.312 . . . . 2.97 110.177 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.57 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 33.1 tt0 -67.18 -40.39 86.58 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.529 0.68 . . . . 2.16 110.62 175.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -76.55 -30.21 57.0 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.391 0.615 . . . . 1.99 109.975 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.599 ' O ' HG21 ' A' ' 78' ' ' VAL . 58.4 t80 -72.05 -20.99 61.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.944 -0.571 . . . . 2.55 109.574 172.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.57 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.6 OUTLIER -66.65 -44.29 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.652 -0.704 . . . . 1.31 109.216 177.279 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.516 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.1 p -65.71 -32.03 73.36 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.736 -0.666 . . . . 1.27 110.464 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.501 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.2 tm? -57.4 -45.39 84.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.954 0.407 . . . . 1.78 109.986 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.599 HG21 ' O ' ' A' ' 74' ' ' PHE . 13.4 t -67.17 -29.03 44.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 116.011 -0.54 . . . . 1.15 110.062 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -62.67 -44.37 96.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.37 0.605 . . . . 1.1 109.711 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -58.71 -47.91 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.356 -0.838 . . . . 1.09 109.851 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' B' ' 8' ' ' LEU . . . -70.13 -33.84 72.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.025 -0.989 . . . . 1.0 112.4 -173.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 80.0 mt -66.65 -41.43 88.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.818 0.342 . . . . 1.1 110.797 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -76.94 -30.82 56.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.374 -0.93 . . . . 2.26 110.492 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . . . -54.63 -25.88 29.41 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.81 -0.356 . . . . 1.24 111.104 166.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.01 -53.54 5.74 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.05 0.389 . . . . 1.1 112.05 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.517 ' C ' ' H ' ' A' ' 88' ' ' HIS . 28.2 t-80 -82.5 -58.92 2.71 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.359 0.599 . . . . 3.4 110.702 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.574 ' C ' ' H ' ' A' ' 89' ' ' THR . 34.9 t80 -74.97 22.96 0.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.049 -0.978 . . . . 2.64 110.503 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.517 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.5 p-80 -49.46 13.58 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.14 1.533 . . . . 4.09 115.14 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.574 ' H ' ' C ' ' A' ' 87' ' ' TYR . 6.0 t -74.81 -38.53 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.219 -1.03 . . . . 1.46 108.219 174.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 CA--C 1.517 -0.327 0 CA-C-N 114.618 -1.174 . . . . 4.28 109.03 175.387 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 121.171 0.51 . . . . 3.1 109.636 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.36 -25.92 64.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.655 -0.702 . . . . 2.51 111.01 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.405 ' O ' HG12 ' B' ' 11' ' ' ILE . 19.8 m-70 -78.74 -50.61 11.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.245 -0.434 . . . . 2.85 110.047 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 84.8 mt -62.58 -60.24 3.8 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.517 0.511 . . . . 1.1 110.693 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.92 -32.58 72.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.322 -0.853 . . . . 2.41 110.647 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.21 92.59 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.971 -0.559 . . . . 0.48 112.521 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.472 ' O ' HG21 ' B' ' 14' ' ' ILE . 29.0 mm -67.04 -41.82 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 1.84 109.596 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.83 -45.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.144 -0.935 . . . . 1.22 111.311 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -64.63 -40.18 95.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 1.95 111.345 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.472 HG21 ' O ' ' B' ' 11' ' ' ILE . 9.9 tp -70.47 -28.02 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.904 -0.318 . . . . 2.55 110.758 -177.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.405 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.8 t80 -70.55 -35.97 73.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.572 -0.529 . . . . 3.26 109.572 175.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.5 -19.86 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 2.85 110.209 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 3.5 110.736 179.131 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 120.94 0.4 . . . . 3.39 110.22 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -103.42 -171.78 2.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.583 -0.281 . . . . 1.88 111.261 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.463 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 20.7 ttmt -64.96 -25.36 67.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.912 -0.315 . . . . 1.93 110.756 -177.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.62 -53.81 33.8 Favored Glycine 0 CA--C 1.504 -0.606 0 C-N-CA 121.118 -0.563 . . . . 0.46 112.5 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -76.16 -38.38 56.74 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.209 -0.996 . . . . 2.43 110.851 -172.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.603 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.9 tp -61.17 -47.89 84.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.301 -0.863 . . . . 1.18 109.222 175.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.483 ' HG3' HD13 ' B' ' 54' ' ' ILE . 4.4 ttpm? -54.1 -50.81 66.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 2.4 110.569 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 8.7 tt0 -53.21 -59.54 4.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 2.62 110.451 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.59 -52.06 63.35 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.384 0.428 . . . . 1.11 110.822 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 84.4 mt -63.38 -48.05 79.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.683 0.623 . . . . 1.18 112.683 -173.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' B' ' 42' ' ' ALA . 31.4 p -64.38 -33.06 74.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.676 0.274 . . . . 1.64 111.716 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.4 ptmm? -96.36 -37.11 10.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.415 0.524 . . . . 2.17 112.415 -176.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.455 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 59.9 mm-40 -90.38 -46.95 8.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.543 0.211 . . . . 1.67 111.5 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.54 30.43 6.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.287 0.565 . . . . 2.07 110.501 -177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.531 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -58.12 -24.08 57.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.103 -0.953 . . . . 1.25 111.896 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.75 -5.22 31.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.846 -0.615 . . . . 2.69 111.304 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.17 -62.14 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.478 0.656 . . . . 1.19 111.069 -170.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.7 mt -81.06 131.09 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.325 -0.852 . . . . 1.13 110.453 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.408 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.81 31.55 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.05 0.219 . . . . 2.14 110.831 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.408 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.0 m-20 44.69 41.48 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.846 0.716 . . . . 1.62 112.002 177.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.3 tp -65.61 -4.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.086 0.946 . . . . 1.19 110.276 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -81.87 -18.3 44.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.743 -1.117 . . . . 1.76 109.804 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.14 127.2 33.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.31 -0.859 . . . . 1.59 110.663 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.463 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.01 -23.92 65.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.585 -0.734 . . . . 1.5 109.934 178.094 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.05 75.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.005 -0.739 . . . . 1.32 109.005 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.458 ' O ' HG12 ' B' ' 57' ' ' ILE . 42.5 t -72.15 -45.86 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.73 -1.123 . . . . 1.23 109.464 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.483 HD13 ' HG3' ' B' ' 34' ' ' LYS . 95.9 mt -59.9 -41.98 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.067 -0.969 . . . . 1.1 111.22 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 22.3 t70 -63.92 -48.14 77.75 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.981 -0.554 . . . . 1.53 109.918 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -48.36 -45.35 35.43 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.671 -0.695 . . . . 1.77 111.096 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 23.4 mm -73.64 -53.0 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 116.19 -0.459 . . . . 1.62 110.922 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.71 -48.73 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 2.59 110.842 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.0 mm-40 -64.2 -30.51 71.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.241 -0.89 . . . . 2.08 110.525 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -25.07 75.9 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.822 -0.704 . . . . 0.56 112.478 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.4 OUTLIER -93.5 -42.96 8.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.14 -0.689 . . . . 1.14 109.14 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -79.92 73.85 6.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.063 -0.971 . . . . 1.4 110.312 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.33 -16.05 60.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.422 -0.808 . . . . 1.46 110.145 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.22 -20.17 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.455 -0.793 . . . . 3.55 110.226 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 63.02 37.03 12.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.076 -0.966 . . . . 3.2 111.085 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -107.54 -2.55 20.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.174 0.512 . . . . 2.14 110.847 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 68.26 41.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.355 -0.839 . . . . 2.01 111.784 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 11.1 pt20 -151.51 117.89 5.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 2.47 110.233 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 m -101.54 125.11 55.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.455 0.645 . . . . 2.42 111.201 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.81 -175.35 5.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 2.02 109.792 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.57 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.153 -0.314 . . . . 2.98 110.153 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.569 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 33.3 tt0 -67.16 -40.8 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.584 0.707 . . . . 2.16 110.583 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.15 -30.24 58.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.801 -0.636 . . . . 1.99 109.931 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.586 ' O ' HG21 ' B' ' 78' ' ' VAL . 57.7 t80 -71.96 -21.13 61.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.953 -0.567 . . . . 2.55 109.552 172.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.569 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.6 OUTLIER -66.59 -44.12 90.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 1.32 109.202 177.33 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.532 ' O ' HD13 ' B' ' 80' ' ' ILE . 0.9 OUTLIER -65.85 -31.94 73.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.743 -0.662 . . . . 1.28 110.49 173.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.2 tm? -57.5 -45.26 85.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.92 -0.4 . . . . 1.78 109.92 176.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.586 HG21 ' O ' ' B' ' 74' ' ' PHE . 13.3 t -67.32 -29.08 44.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.153 -0.476 . . . . 1.15 109.978 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -62.56 -44.5 96.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.357 0.598 . . . . 1.11 109.689 174.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.532 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -58.67 -47.81 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.234 -0.894 . . . . 1.09 109.942 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.515 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . . . -70.3 -33.69 71.85 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.003 -0.999 . . . . 1.0 112.465 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 80.1 mt -66.74 -41.45 87.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.752 0.311 . . . . 1.1 110.711 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.355 -0.938 . . . . 2.26 110.401 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . . . -54.51 -26.0 28.96 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.79 -0.364 . . . . 1.24 111.026 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.04 -53.04 6.11 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.173 0.435 . . . . 1.1 112.173 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.533 ' C ' ' H ' ' B' ' 88' ' ' HIS . 28.6 t-80 -82.84 -58.81 2.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.208 0.528 . . . . 3.39 110.833 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.576 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.5 t80 -75.13 22.85 0.11 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.186 0.994 . . . . 2.64 110.518 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.533 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.5 p-80 -49.31 13.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.317 1.599 . . . . 4.09 115.317 -177.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.576 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.9 t -74.67 -38.6 62.38 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.313 -0.995 . . . . 1.47 108.313 174.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 CA--C 1.517 -0.305 0 CA-C-N 114.531 -1.213 . . . . 4.28 109.034 175.344 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.581 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.7 pt-20 . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 113.289 0.848 . . . . 3.1 113.289 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -33.15 72.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.297 0.57 . . . . 2.51 110.178 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.521 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 63.9 m-70 -82.99 -30.94 27.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.792 -0.64 . . . . 2.85 110.594 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 87.6 mt -74.0 -60.6 2.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.166 0.508 . . . . 1.1 110.78 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.06 -22.18 65.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.577 -0.738 . . . . 2.41 109.128 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.71 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -62.52 -46.93 92.77 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.638 -0.71 . . . . 0.48 111.687 172.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.483 HG23 HG22 ' A' ' 78' ' ' VAL . 22.4 mm -62.48 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.217 0.532 . . . . 1.84 110.01 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.513 ' CG1' ' HB2' ' B' ' 86' ' ' HIS . 33.9 t -49.92 -42.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.232 -0.894 . . . . 1.22 111.101 171.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -78.73 -18.03 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.684 . . . . 1.95 111.196 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.71 HG12 ' O ' ' A' ' 10' ' ' GLY . 48.6 mm -74.7 -36.56 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.066 0.46 . . . . 2.55 109.876 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -64.63 -37.37 87.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.272 -1.01 . . . . 3.26 108.272 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -69.98 -20.47 63.3 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.76 -1.109 . . . . 2.85 110.765 174.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.493 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 29.7 tt0 . . . . . 0 C--N 1.326 -0.414 0 N-CA-C 109.699 -0.482 . . . . 3.5 109.699 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.235 0.321 0 CA-C-O 121.679 0.752 . . . . 3.39 112.182 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 p -104.88 -178.8 3.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.552 -0.749 . . . . 1.87 111.078 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.474 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 3.0 ttmp? -48.85 -20.04 0.45 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.527 1.306 . . . . 1.93 114.527 -166.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.52 -42.11 26.41 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 114.474 0.55 . . . . 0.47 114.474 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -42.34 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.065 0.432 . . . . 2.44 111.565 -173.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 14.5 tp -58.87 -42.43 89.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.389 -0.597 . . . . 1.18 109.389 175.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HA ' HD11 ' A' ' 54' ' ' ILE . 27.8 ttpp -56.48 -46.19 80.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.015 -0.993 . . . . 2.4 110.658 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 35.1 mt-30 -63.56 -61.77 2.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.509 -0.314 . . . . 2.62 110.784 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD13 HG21 ' A' ' 14' ' ' ILE . 10.5 tt -48.31 -50.11 31.42 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.586 0.554 . . . . 1.11 111.084 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.1 mt -65.68 -47.26 76.06 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.378 0.51 . . . . 1.18 112.378 -175.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.412 HG21 ' HA ' ' A' ' 49' ' ' LYS . 34.7 p -67.64 -30.14 69.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.719 0.266 . . . . 1.64 111.719 -175.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.7 ptmm? -96.59 -37.94 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.326 0.491 . . . . 2.17 112.326 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 13.5 mm-40 -94.47 -36.09 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 1.67 111.214 -170.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 37' ' ' LEU . 26.4 mt -116.94 29.43 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.373 0.606 . . . . 2.07 109.632 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.1 -34.78 45.61 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.529 -1.214 . . . . 1.25 113.254 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -99.0 -10.78 22.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.783 0.325 . . . . 2.69 111.488 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.603 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -91.19 -65.88 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.593 0.711 . . . . 1.19 110.513 -168.329 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.4 mt -73.32 132.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 114.668 -1.151 . . . . 1.14 109.227 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 125.84 25.26 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 123.139 0.274 . . . . 2.14 110.583 -174.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 47.84 39.99 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.659 -0.701 . . . . 1.62 110.911 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.5 tp -60.94 -9.46 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.76 0.791 . . . . 1.19 111.073 -176.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.412 ' HA ' HG21 ' A' ' 38' ' ' THR . 13.7 mmmm -81.14 -7.89 59.65 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.192 -0.913 . . . . 1.76 110.522 -178.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.442 ' O ' HG13 ' A' ' 54' ' ' ILE . 3.1 t70 -95.59 132.47 40.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.825 -0.625 . . . . 1.58 110.185 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -22.34 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 1.51 110.051 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.27 -32.8 73.23 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.634 0.73 . . . . 1.33 109.067 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.482 ' O ' HD11 ' A' ' 57' ' ' ILE . 21.6 t -80.61 -46.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.561 -1.2 . . . . 1.23 109.659 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 34' ' ' LYS . 47.5 mt -58.18 -36.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 1.1 110.812 175.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -62.79 -52.87 61.51 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 115.543 -0.753 . . . . 1.53 109.135 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 41.9 mm-40 -47.62 -47.43 29.0 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.381 -0.827 . . . . 1.77 111.555 176.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.604 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.45 -59.22 4.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 1.62 110.935 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 27.4 t80 -59.56 -44.74 93.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.18 -0.463 . . . . 2.59 110.52 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.11 -26.4 68.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.37 -0.832 . . . . 2.08 110.24 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.7 63.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.56 112.266 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.61 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mt -87.61 -46.89 9.14 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.897 -0.779 . . . . 1.14 108.897 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.96 73.78 1.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.683 -1.144 . . . . 1.4 110.514 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.13 63.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.083 -0.962 . . . . 1.46 110.682 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -73.37 -19.68 60.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.65 -0.704 . . . . 3.54 110.286 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 61.61 38.6 15.31 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 114.89 -1.05 . . . . 3.2 111.717 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -118.05 8.1 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.292 0.568 . . . . 2.13 110.183 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 67.88 44.17 1.6 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.959 -1.019 . . . . 2.02 110.906 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -137.16 118.01 14.15 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.938 0.399 . . . . 2.47 110.957 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 p -91.58 108.88 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.285 0.564 . . . . 2.42 111.23 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.611 ' HB2' ' OE1' ' A' ' 73' ' ' GLU . 4.7 m-20 -81.98 179.14 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.801 -0.562 . . . . 2.02 109.755 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -60.37 -32.55 71.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.714 -0.394 . . . . 2.97 110.324 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.427 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.7 tt0 -70.01 -43.11 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 2.16 111.067 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.611 ' OE1' ' HB2' ' A' ' 70' ' ' ASP . 3.7 mp0 -63.48 -41.41 98.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 1.99 109.524 175.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.2 t80 -65.75 -28.67 69.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.73 . . . . 2.55 110.159 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.507 HG12 ' HB2' ' B' ' 82' ' ' LEU . 1.3 mt -65.17 -39.05 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 1.31 109.255 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 27.8 m -64.19 -40.53 96.27 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.876 -1.056 . . . . 1.27 109.673 176.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.473 ' O ' HD22 ' A' ' 77' ' ' LEU . 1.4 tm? -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 1.78 110.378 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 21.9 t -62.81 -33.45 60.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 1.15 109.941 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 76' ' ' SER . . . -62.45 -48.25 80.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.0 -0.545 . . . . 1.1 110.175 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.444 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.06 -43.84 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.358 -0.837 . . . . 1.09 110.364 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.457 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -73.82 -30.25 62.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.197 -0.91 . . . . 1.0 111.923 -174.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 48.5 mt -64.43 -42.89 95.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.124 0.488 . . . . 1.1 109.69 173.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -61.07 -46.67 89.72 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 115.618 -0.719 . . . . 2.26 109.568 173.31 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.46 -22.35 54.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.0 -0.545 . . . . 1.24 111.919 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -81.06 -59.87 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.306 0.484 . . . . 1.1 112.306 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.517 ' HB2' ' CG1' ' B' ' 12' ' ' VAL . 78.5 t60 -86.29 -36.35 19.37 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.138 0.494 . . . . 3.4 111.26 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.602 ' C ' ' H ' ' A' ' 89' ' ' THR . 35.7 t80 -86.02 23.44 1.5 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.44 -0.8 . . . . 2.64 108.987 174.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.64 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 16.8 t-80 -46.61 19.2 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 126.651 1.981 . . . . 4.09 115.2 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.602 ' H ' ' C ' ' A' ' 87' ' ' TYR . 11.6 t -93.84 21.14 6.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.691 -0.855 . . . . 1.46 108.691 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 89' ' ' THR . 16.5 m170 . . . . . 0 CA--C 1.507 -0.709 0 CA-C-N 114.039 -1.437 . . . . 4.28 108.862 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.603 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.7 pt-20 . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 113.193 0.812 . . . . 3.1 113.193 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -33.25 73.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.477 0.656 . . . . 2.51 110.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.524 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 63.6 m-70 -82.94 -31.0 27.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.803 -0.635 . . . . 2.85 110.604 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 87.5 mt -73.9 -60.68 2.14 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.08 0.467 . . . . 1.1 110.725 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.99 -22.36 65.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.532 -0.758 . . . . 2.41 109.133 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.696 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -62.19 -47.22 91.24 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.551 -0.75 . . . . 0.48 111.59 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.48 HG23 HG22 ' B' ' 78' ' ' VAL . 22.5 mm -62.29 -45.42 98.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.235 0.54 . . . . 1.84 110.043 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.517 ' CG1' ' HB2' ' A' ' 86' ' ' HIS . 34.7 t -50.06 -42.53 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.162 -0.927 . . . . 1.22 111.18 171.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.75 -17.95 55.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 1.95 111.327 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.696 HG12 ' O ' ' B' ' 10' ' ' GLY . 48.8 mm -74.74 -36.74 41.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.119 0.485 . . . . 2.55 109.867 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.5 -37.62 88.18 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.238 -1.023 . . . . 3.26 108.238 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -69.76 -20.59 63.49 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.651 -1.159 . . . . 2.85 110.887 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 29.8 tt0 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 109.608 -0.516 . . . . 3.5 109.608 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 121.739 0.78 . . . . 3.39 112.204 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -104.9 -178.79 3.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.522 -0.763 . . . . 1.88 111.098 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.467 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 3.0 ttmp? -48.66 -20.12 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.575 1.324 . . . . 1.93 114.575 -166.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.63 -42.2 27.39 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 114.403 0.521 . . . . 0.46 114.403 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -42.21 18.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.011 0.405 . . . . 2.43 111.551 -173.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.5 tp -58.89 -42.28 89.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.317 0.58 . . . . 1.18 109.487 174.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' B' ' 54' ' ' ILE . 27.7 ttpp -56.72 -46.07 81.52 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.077 -0.965 . . . . 2.4 110.755 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.634 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 35.2 mt-30 -63.61 -61.71 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.428 -0.351 . . . . 2.62 110.686 174.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.434 HD13 HG21 ' B' ' 14' ' ' ILE . 10.5 tt -48.31 -50.22 30.96 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.634 0.584 . . . . 1.11 111.121 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 80.6 mt -65.52 -47.34 76.27 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.442 0.534 . . . . 1.18 112.442 -175.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 35.1 p -67.69 -29.87 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.796 0.295 . . . . 1.64 111.796 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.6 ptmm? -96.75 -37.94 10.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.347 0.499 . . . . 2.17 112.347 -177.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.446 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 14.4 mm-40 -94.52 -35.99 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.923 0.392 . . . . 1.67 111.16 -170.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' B' ' 37' ' ' LEU . 26.4 mt -116.83 29.37 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.505 0.669 . . . . 2.07 109.717 -176.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.21 -34.24 44.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.48 -1.237 . . . . 1.25 113.311 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -99.3 -10.99 21.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.739 0.304 . . . . 2.69 111.585 -173.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.581 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -91.02 -65.83 0.98 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.553 0.692 . . . . 1.19 110.5 -168.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.545 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -73.39 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 114.602 -1.181 . . . . 1.13 109.171 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 126.0 25.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 123.147 0.279 . . . . 2.14 110.586 -174.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 47.82 40.02 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.612 -0.722 . . . . 1.62 110.948 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.545 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.5 tp -61.01 -9.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.887 0.851 . . . . 1.19 111.063 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -81.16 -7.98 59.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.145 -0.934 . . . . 1.76 110.333 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.439 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.8 t70 -95.46 132.33 40.65 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.912 -0.585 . . . . 1.59 110.235 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -22.71 65.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.918 -0.583 . . . . 1.5 109.943 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.26 -32.55 72.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.742 0.782 . . . . 1.32 109.125 175.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.474 ' O ' HD11 ' B' ' 57' ' ' ILE . 21.5 t -80.62 -46.73 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.684 -1.143 . . . . 1.23 109.647 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' B' ' 34' ' ' LYS . 47.7 mt -57.88 -36.4 55.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.685 -0.689 . . . . 1.1 110.852 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.8 -52.88 61.45 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.438 -0.801 . . . . 1.53 109.134 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -47.73 -47.51 30.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.329 -0.85 . . . . 1.77 111.492 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.597 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -65.33 -59.09 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.62 110.95 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 27.3 t80 -59.6 -44.78 93.28 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.072 0.463 . . . . 2.59 110.557 -172.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.02 -26.4 68.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.331 -0.849 . . . . 2.08 110.217 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -26.71 63.56 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.957 -0.64 . . . . 0.56 112.192 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.617 ' O ' ' HG3' ' B' ' 73' ' ' GLU . 1.1 mt -87.61 -46.68 9.33 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.948 -0.76 . . . . 1.14 108.948 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.25 74.14 1.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.637 -1.165 . . . . 1.4 110.547 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.16 -21.49 63.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.146 -0.934 . . . . 1.46 110.679 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -73.0 -19.82 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 3.55 110.288 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 61.78 38.34 14.96 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 114.985 -1.007 . . . . 3.2 111.82 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -117.83 7.62 12.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.341 0.591 . . . . 2.14 110.161 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 68.33 44.12 1.39 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.055 -0.975 . . . . 2.01 110.829 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -137.06 118.13 14.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.806 0.336 . . . . 2.47 110.821 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.61 109.0 20.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.267 0.556 . . . . 2.42 111.168 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.623 ' HB2' ' OE1' ' B' ' 73' ' ' GLU . 4.9 m-20 -81.95 179.14 7.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.846 -0.533 . . . . 2.02 109.827 172.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -60.33 -32.51 71.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.671 -0.412 . . . . 2.98 110.378 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.434 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.4 tt0 -70.24 -42.9 71.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 2.16 110.97 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.623 ' OE1' ' HB2' ' B' ' 70' ' ' ASP . 3.3 mp0 -63.6 -41.54 98.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.329 0.585 . . . . 1.99 109.527 175.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.522 ' O ' HG23 ' B' ' 78' ' ' VAL . 79.2 t80 -65.67 -28.67 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.529 -0.759 . . . . 2.55 110.199 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.492 HG12 ' HB2' ' A' ' 82' ' ' LEU . 1.3 mt -65.17 -39.15 84.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.473 -0.785 . . . . 1.32 109.361 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 25.5 m -63.95 -40.59 96.77 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.792 -1.095 . . . . 1.28 109.664 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.473 ' O ' HD22 ' B' ' 77' ' ' LEU . 1.4 tm? -57.12 -45.97 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.78 110.329 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.65 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.0 t -62.83 -33.41 60.1 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.884 -0.413 . . . . 1.15 109.884 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' B' ' 76' ' ' SER . . . -62.52 -48.04 81.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.257 0.551 . . . . 1.11 110.132 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.443 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.23 -43.9 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.371 -0.831 . . . . 1.09 110.287 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -73.82 -30.2 62.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.216 -0.902 . . . . 1.0 111.918 -174.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 47.6 mt -64.54 -42.8 95.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.575 -0.528 . . . . 1.1 109.575 173.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.0 OUTLIER -61.06 -46.71 89.56 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.665 -0.698 . . . . 2.26 109.537 173.314 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.45 -22.24 53.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.988 -0.551 . . . . 1.24 111.995 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.617 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -81.16 -59.64 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.378 0.51 . . . . 1.1 112.378 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 78.4 t60 -86.52 -36.32 19.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.417 0.627 . . . . 3.39 111.349 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.586 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.7 t80 -86.03 23.57 1.47 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.45 -0.795 . . . . 2.64 108.989 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.617 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 16.7 t-80 -46.78 19.31 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 126.682 1.993 . . . . 4.09 115.208 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.586 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.6 t -94.06 21.29 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.807 -0.812 . . . . 1.47 108.807 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' B' ' 89' ' ' THR . 16.5 m170 . . . . . 0 CA--C 1.507 -0.703 0 CA-C-N 113.877 -1.51 . . . . 4.28 108.88 -175.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.315 0.579 . . . . 3.1 111.37 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -65.63 -18.37 65.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.343 -0.844 . . . . 2.51 109.647 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.57 ' O ' HG13 ' A' ' 11' ' ' ILE . 55.7 m-70 -62.82 -57.86 9.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.805 -0.813 . . . . 2.85 108.805 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 31.1 mt -74.54 -56.05 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.843 -1.072 . . . . 1.1 111.256 -175.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.03 -21.99 66.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 2.41 110.612 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.5 -40.67 53.7 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.86 -0.686 . . . . 0.48 111.757 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 7' ' ' HIS . 76.2 mt -69.1 -37.98 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.497 0.665 . . . . 1.84 110.028 177.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.91 -35.68 75.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.541 -0.754 . . . . 1.22 110.607 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.68 -40.83 69.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 1.95 111.284 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 11' ' ' ILE . 33.6 pt -66.77 -29.1 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.265 -0.574 . . . . 2.55 110.497 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.53 -35.36 78.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.222 -0.659 . . . . 3.26 109.222 174.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -66.98 -21.42 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.636 -0.711 . . . . 2.85 110.773 174.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.415 -0.357 . . . . 3.5 111.299 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 ' HB2' ' OE1' ' A' ' 32' ' ' GLU . 90.8 mt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 112.635 0.606 . . . . 3.39 112.635 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -94.74 -170.89 2.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.367 0.877 . . . . 1.87 113.367 -166.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 10.5 ttmm -47.41 -37.97 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.793 1.035 . . . . 1.93 113.793 -172.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.29 -57.77 4.82 Favored Glycine 0 N--CA 1.465 0.615 0 N-CA-C 114.975 0.75 . . . . 0.47 114.975 -172.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.487 ' OE1' ' HB2' ' A' ' 28' ' ' LEU . 2.8 pt-20 -65.14 -36.23 83.6 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.461 0.541 . . . . 2.44 112.461 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 18.1 tp -66.02 -45.03 82.99 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.783 -0.821 . . . . 1.18 108.783 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -57.72 -44.85 86.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.662 -1.154 . . . . 2.4 110.449 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 36.5 tt0 -55.03 -59.02 5.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.978 -0.555 . . . . 2.62 110.171 174.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 9.8 tt -49.6 -60.46 2.84 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.943 -0.571 . . . . 1.11 110.206 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.1 mt -53.24 -47.62 68.89 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 113.319 0.859 . . . . 1.18 113.319 -173.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.417 HG21 ' HA ' ' A' ' 49' ' ' LYS . 21.1 p -66.6 -38.18 86.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.05 0.389 . . . . 1.64 112.05 -173.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.3 ptmt -97.73 -22.9 16.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.422 0.897 . . . . 2.17 113.422 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 42.0 tp10 -102.93 -35.49 8.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.84 0.352 . . . . 1.67 111.033 -170.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.1 mt -120.0 30.25 7.11 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.574 0.702 . . . . 2.07 109.396 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.06 -36.37 50.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.387 -1.279 . . . . 1.25 113.44 -174.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.61 33.91 5.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.443 0.64 . . . . 2.69 110.626 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.456 HG21 ' CD1' ' B' ' 8' ' ' LEU . 0.2 OUTLIER -113.58 -61.65 1.71 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.747 0.784 . . . . 1.19 109.581 175.353 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.533 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 23.4 mt -85.72 137.54 20.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.492 -1.231 . . . . 1.14 109.73 -175.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.31 126.08 23.48 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.545 0.212 . . . . 2.14 110.44 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.48 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 43.26 44.33 4.52 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.506 -0.77 . . . . 1.62 112.187 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.533 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -62.01 -6.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.924 0.868 . . . . 1.19 110.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -84.53 -10.64 57.25 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.201 -0.909 . . . . 1.76 110.173 179.575 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.1 m-20 -90.85 128.7 36.83 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.615 -0.72 . . . . 1.58 111.206 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.05 -29.58 70.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.929 -1.032 . . . . 1.51 110.226 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.37 -36.69 83.52 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.581 -0.736 . . . . 1.33 109.165 177.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 32.1 t -74.71 -43.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.523 -1.217 . . . . 1.23 109.673 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 50' ' ' ASP . 29.3 mt -65.2 -36.7 78.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 114.911 -1.04 . . . . 1.1 110.873 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 34.3 t70 -64.32 -49.89 69.97 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.557 -0.747 . . . . 1.53 109.333 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.4 mm-40 -47.3 -47.13 25.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.882 -1.054 . . . . 1.77 111.048 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 86.8 mt -70.09 -53.87 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.657 -0.701 . . . . 1.62 111.397 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 17.2 t80 -55.39 -47.65 75.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 2.59 110.235 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 60.5 mm-40 -60.93 -31.05 70.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 2.08 109.987 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.49 -25.6 75.34 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.737 -0.665 . . . . 0.56 112.287 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -88.2 -50.43 6.37 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.727 -0.842 . . . . 1.14 108.727 177.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.56 73.92 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.625 -1.17 . . . . 1.4 110.83 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.03 -16.67 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.464 -0.789 . . . . 1.46 109.582 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -73.54 -18.69 61.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.989 -1.005 . . . . 3.54 110.298 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 61.42 37.96 16.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.754 -1.112 . . . . 3.2 111.444 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -109.92 -3.04 16.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.54 0.686 . . . . 2.13 109.893 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 61.64 47.38 6.45 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.721 -1.127 . . . . 2.02 110.133 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 68' ' ' GLN . 9.7 pt20 -142.82 118.73 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.671 -0.695 . . . . 2.47 110.084 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.06 106.52 12.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.39 0.614 . . . . 2.42 110.404 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 4.9 m-20 -77.64 174.52 10.83 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.318 -0.623 . . . . 2.02 109.318 172.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -62.65 -32.22 73.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.386 -0.526 . . . . 2.97 110.012 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.497 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.3 tt0 -69.92 -40.9 75.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 2.16 110.895 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 70' ' ' ASP . 3.9 mm-40 -68.85 -33.95 74.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.563 0.697 . . . . 1.99 109.343 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.496 ' O ' HG22 ' A' ' 78' ' ' VAL . 70.9 t80 -69.8 -24.08 63.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.542 -0.754 . . . . 2.55 109.933 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.566 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.2 mt -67.86 -42.17 85.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.751 -0.659 . . . . 1.31 109.679 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.54 ' O ' HD12 ' A' ' 80' ' ' ILE . 2.0 p -69.3 -28.61 66.41 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.105 -0.498 . . . . 1.27 110.394 174.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.1 tm? -58.74 -45.63 89.25 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.724 -0.472 . . . . 1.78 109.724 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.0 t -66.28 -32.0 56.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.927 -0.579 . . . . 1.15 110.073 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.52 98.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.394 0.616 . . . . 1.1 109.912 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.54 HD12 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.87 -45.59 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.119 -0.946 . . . . 1.09 110.237 174.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -77.63 -22.91 50.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 1.0 112.31 -173.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 62.6 mt -67.7 -39.94 84.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.336 0.589 . . . . 1.1 109.594 173.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.544 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 9.4 mttt -75.53 -19.85 59.08 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.764 -0.653 . . . . 2.26 110.541 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' CB ' HG12 ' A' ' 45' ' ' ILE . . . -68.9 -24.88 64.36 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.864 -0.421 . . . . 1.24 109.864 169.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.18 -55.13 4.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 1.1 111.391 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 88' ' ' HIS . 42.9 t-80 -75.78 -56.12 4.98 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.16 0.505 . . . . 3.4 111.313 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' C ' ' H ' ' A' ' 89' ' ' THR . 2.7 t80 -83.51 22.32 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 2.64 109.956 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 86' ' ' HIS . 73.9 t60 -45.87 -2.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.007 1.323 . . . . 4.09 113.806 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.572 ' H ' ' C ' ' A' ' 87' ' ' TYR . 8.6 t -69.89 -30.04 67.39 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.512 -0.922 . . . . 1.46 108.512 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.514 -0.424 0 C-N-CA 125.37 1.468 . . . . 4.28 108.449 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.333 0.587 . . . . 3.1 111.172 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.7 -18.28 65.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.312 -0.858 . . . . 2.51 109.671 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.558 ' O ' HG13 ' B' ' 11' ' ' ILE . 55.9 m-70 -62.91 -57.9 9.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.817 -0.808 . . . . 2.85 108.817 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 44' ' ' THR . 31.0 mt -74.34 -56.09 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.8 -1.091 . . . . 1.1 111.222 -175.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.1 -22.18 66.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.858 0.361 . . . . 2.41 110.629 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.24 -40.75 55.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.987 -0.625 . . . . 0.48 111.764 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 7' ' ' HIS . 76.3 mt -69.25 -38.07 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.472 0.653 . . . . 1.84 109.992 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.7 -35.92 75.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.693 -0.685 . . . . 1.22 110.575 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -71.62 -40.79 69.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 1.95 111.267 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' B' ' 11' ' ' ILE . 33.7 pt -66.88 -28.94 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.217 -0.593 . . . . 2.55 110.516 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.6 -35.29 78.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.185 -0.672 . . . . 3.26 109.185 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -67.07 -21.38 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.642 -0.708 . . . . 2.85 110.722 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.383 -0.371 . . . . 3.5 111.307 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.48 ' HB2' ' OE1' ' B' ' 32' ' ' GLU . 91.1 mt . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 112.587 0.588 . . . . 3.39 112.587 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.9 m -95.35 -171.31 2.36 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.218 0.821 . . . . 1.88 113.218 -166.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.494 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 10.5 ttmm -47.05 -38.06 10.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.744 1.016 . . . . 1.93 113.744 -172.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.67 4.78 Favored Glycine 0 N--CA 1.466 0.648 0 N-CA-C 114.877 0.711 . . . . 0.46 114.877 -172.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.48 ' OE1' ' HB2' ' B' ' 28' ' ' LEU . 2.7 pt-20 -65.36 -36.35 83.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.493 0.553 . . . . 2.43 112.493 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 18.0 tp -65.76 -45.22 83.37 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.817 -0.808 . . . . 1.18 108.817 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -57.59 -44.63 85.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.654 -1.157 . . . . 2.4 110.578 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 36.2 tt0 -55.23 -59.09 5.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.018 -0.537 . . . . 2.62 110.105 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tt -49.39 -60.65 2.65 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 123.656 0.598 . . . . 1.11 110.17 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.2 mt -53.06 -47.72 68.23 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 113.389 0.885 . . . . 1.18 113.389 -173.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 20.2 p -66.58 -38.32 86.8 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 1.64 112.062 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.2 ptmt -97.52 -23.19 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.295 0.85 . . . . 2.17 113.295 -176.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -102.6 -35.42 8.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.736 0.303 . . . . 1.67 111.04 -170.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 8' ' ' LEU . 35.4 mt -120.1 30.32 7.06 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.495 0.665 . . . . 2.07 109.4 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.32 -35.86 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.376 -1.284 . . . . 1.25 113.544 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.92 34.11 5.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.392 0.615 . . . . 2.69 110.597 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.433 HG21 ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -113.75 -61.83 1.68 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.728 0.775 . . . . 1.19 109.628 175.294 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.532 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 23.6 mt -85.71 137.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.408 -1.269 . . . . 1.13 109.773 -175.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.469 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -55.2 126.29 24.2 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.129 0.268 . . . . 2.14 110.484 -178.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.469 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.7 m-20 42.88 44.55 3.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 124.028 0.83 . . . . 1.62 112.22 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.532 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -62.13 -6.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.922 0.868 . . . . 1.19 110.84 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' B' ' 47' ' ' ASN . 0.7 OUTLIER -84.29 -10.82 57.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.148 -0.933 . . . . 1.76 110.136 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.488 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.1 m-20 -90.9 128.81 36.9 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.684 -0.689 . . . . 1.59 111.104 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.14 -29.48 70.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.982 -1.008 . . . . 1.5 110.135 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.72 -36.15 81.79 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.592 -0.731 . . . . 1.32 109.209 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' B' ' 56' ' ' GLU . 32.0 t -75.14 -43.54 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.54 -1.209 . . . . 1.23 109.652 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 50' ' ' ASP . 29.9 mt -65.42 -36.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 1.1 110.861 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 35.9 t70 -64.42 -49.84 69.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.601 -0.727 . . . . 1.53 109.347 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 15.9 mm-40 -47.54 -46.78 28.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.919 -1.037 . . . . 1.77 111.114 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.457 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 86.6 mt -70.37 -53.72 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.666 -0.697 . . . . 1.62 111.378 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.494 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 16.9 t80 -55.6 -47.34 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 2.59 110.283 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 60.5 mm-40 -61.09 -31.21 70.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 2.08 109.927 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.06 -26.21 74.85 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.627 -0.715 . . . . 0.56 112.159 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.6 OUTLIER -87.8 -50.8 6.23 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.744 -0.836 . . . . 1.14 108.744 177.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.46 74.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.7 -1.136 . . . . 1.4 110.82 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.32 -16.56 59.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.474 -0.785 . . . . 1.46 109.513 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.42 -18.45 61.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.985 -1.007 . . . . 3.55 110.3 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.84 38.7 17.75 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.787 -1.097 . . . . 3.2 111.446 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -110.52 -2.91 16.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.447 0.642 . . . . 2.14 109.938 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 61.22 47.56 6.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 114.716 -1.129 . . . . 2.01 110.236 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 9.7 pt20 -142.94 118.63 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.617 -0.72 . . . . 2.47 110.136 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.27 106.53 12.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.551 0.691 . . . . 2.42 110.504 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.487 ' HB2' ' HG2' ' B' ' 73' ' ' GLU . 5.3 m-20 -77.61 174.46 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.248 -0.649 . . . . 2.02 109.248 172.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -62.74 -32.3 73.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.446 -0.501 . . . . 2.98 110.007 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.499 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.5 tt0 -69.62 -41.08 76.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.574 . . . . 2.16 111.104 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' B' ' 70' ' ' ASP . 3.9 mm-40 -68.86 -33.78 74.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.642 0.734 . . . . 1.99 109.372 177.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.494 ' O ' HG22 ' B' ' 78' ' ' VAL . 71.5 t80 -69.76 -24.1 63.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.644 -0.707 . . . . 2.55 110.043 174.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.2 mt -67.94 -42.02 85.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 1.32 109.681 176.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.555 ' O ' HD12 ' B' ' 80' ' ' ILE . 2.1 p -69.28 -28.68 66.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.151 -0.477 . . . . 1.28 110.345 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.1 tm? -58.86 -45.52 89.93 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.719 -0.474 . . . . 1.78 109.719 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 40.1 t -66.16 -32.37 57.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.966 -0.561 . . . . 1.15 110.03 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.68 98.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.499 0.666 . . . . 1.11 109.977 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.555 HD12 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.69 -45.62 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.119 -0.946 . . . . 1.09 110.22 174.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.443 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -77.84 -22.7 49.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.568 -0.742 . . . . 1.0 112.353 -173.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 63.5 mt -67.89 -39.87 83.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 1.1 109.624 173.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 9.3 mttt -75.47 -19.93 59.11 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.705 -0.68 . . . . 2.26 110.429 174.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . . . -69.02 -24.78 64.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.021 0.438 . . . . 1.24 109.834 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.16 -55.2 4.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 1.1 111.305 175.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.414 ' C ' ' H ' ' B' ' 88' ' ' HIS . 42.4 t-80 -75.84 -55.92 5.17 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.298 0.571 . . . . 3.39 111.314 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.573 ' C ' ' H ' ' B' ' 89' ' ' THR . 2.7 t80 -83.59 22.34 1.09 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.64 -0.709 . . . . 2.64 109.905 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' B' ' 86' ' ' HIS . 74.4 t60 -45.76 -3.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.0 1.32 . . . . 4.09 113.779 -177.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.573 ' H ' ' C ' ' B' ' 87' ' ' TYR . 8.7 t -69.98 -29.82 67.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.619 -0.882 . . . . 1.47 108.619 177.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.514 -0.412 0 C-N-CA 125.427 1.491 . . . . 4.28 108.568 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.441 0.639 . . . . 3.1 109.772 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.89 -20.35 56.75 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.037 -0.983 . . . . 2.51 110.218 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.548 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 81.6 m-70 -72.81 -43.07 63.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.851 -0.425 . . . . 2.85 109.851 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' B' ' 81' ' ' ALA . 83.9 mt -68.41 -60.78 2.19 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.93 0.395 . . . . 1.1 110.753 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.16 -22.64 66.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 2.41 110.65 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.603 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -71.73 -38.27 61.05 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.638 -0.71 . . . . 0.48 112.181 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 7' ' ' HIS . 71.9 mt -66.8 -38.68 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.075 -0.713 . . . . 1.84 109.075 174.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.94 -33.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.915 -1.039 . . . . 1.22 110.22 172.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.28 -34.89 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 1.95 111.074 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 10' ' ' GLY . 22.8 mt -68.11 -38.71 80.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.235 0.54 . . . . 2.55 109.551 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -59.03 -47.64 84.48 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.724 -0.843 . . . . 3.26 108.724 171.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.13 -23.84 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.774 -1.103 . . . . 2.85 110.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? . . . . . 0 N--CA 1.454 -0.25 0 CA-C-N 116.441 -0.345 . . . . 3.5 110.622 -179.891 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 121.509 0.671 . . . . 3.39 111.361 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -81.15 -170.52 2.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.522 -0.763 . . . . 1.87 111.441 -176.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HD2' ' CE ' ' A' ' 51' ' ' LYS . 16.7 ttmt -54.24 -31.96 54.72 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.559 -0.291 . . . . 1.93 111.729 -172.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.549 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -57.7 -45.03 93.81 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.198 -0.525 . . . . 0.47 113.148 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -67.92 -44.03 77.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.399 0.619 . . . . 2.44 110.155 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.1 tp -64.43 -43.02 95.63 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.101 -0.954 . . . . 1.18 110.004 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 1.5 pptp? -64.73 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 2.4 110.329 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.711 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 38.5 mt-30 -61.55 -63.78 1.16 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.468 -0.567 . . . . 2.62 109.468 172.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -48.77 -48.25 41.12 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.91 0.756 . . . . 1.11 110.745 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.2 mt -63.77 -53.37 52.08 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.097 0.777 . . . . 1.18 113.097 -174.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 49' ' ' LYS . 36.3 p -66.28 -32.56 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.951 0.352 . . . . 1.64 111.951 -173.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.9 ptmm? -96.29 -35.54 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 2.17 112.673 -175.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -95.79 -43.56 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.125 0.488 . . . . 1.67 110.907 -171.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' B' ' 8' ' ' LEU . 13.6 mt -105.41 26.56 9.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 2.07 109.659 -174.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.76 -38.87 23.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 114.528 -1.214 . . . . 1.25 113.411 -175.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -115.23 18.83 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.495 -0.482 . . . . 2.69 111.326 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -103.2 -54.23 2.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.434 0.635 . . . . 1.19 110.1 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 54.0 mt -92.11 143.85 10.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.185 -0.916 . . . . 1.14 109.814 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -60.68 123.78 18.46 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.183 -0.302 . . . . 2.14 110.183 -176.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.485 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 42.85 45.06 4.14 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.518 -0.765 . . . . 1.62 111.859 177.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.477 ' CG1' ' HB3' ' A' ' 37' ' ' LEU . 8.0 tp -60.6 -4.99 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 1.19 111.257 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -82.95 -16.93 45.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.194 -0.912 . . . . 1.76 110.084 -179.458 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' ILE . 7.3 m-20 -84.83 128.52 34.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.335 -0.848 . . . . 1.58 111.366 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.526 ' CE ' ' HD2' ' A' ' 30' ' ' LYS . 23.0 tptm -63.48 -25.55 68.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.162 -0.926 . . . . 1.51 110.247 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.7 -37.32 73.57 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.409 0.623 . . . . 1.33 109.322 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.2 t -71.82 -43.24 69.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.823 -1.08 . . . . 1.23 109.077 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 50' ' ' ASP . 54.0 mt -64.57 -35.84 75.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 114.719 -1.128 . . . . 1.1 111.356 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.6 t70 -63.84 -51.65 63.7 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.902 -0.777 . . . . 1.53 108.902 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.9 mm-40 -48.87 -44.31 39.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.613 -1.176 . . . . 1.77 111.345 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.584 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 72.7 mt -70.99 -57.65 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.819 -0.628 . . . . 1.62 111.412 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -52.93 -47.15 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 2.59 110.788 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 15.9 mm100 -66.79 -26.88 67.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.5 -0.773 . . . . 2.08 110.454 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.68 -32.07 54.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.014 -0.613 . . . . 0.56 112.701 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -82.67 -40.23 20.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.19 -0.671 . . . . 1.14 109.19 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -76.24 73.01 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.199 -0.91 . . . . 1.4 110.746 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.21 62.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.218 -0.901 . . . . 1.46 109.891 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -20.21 56.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.038 -0.983 . . . . 3.54 110.295 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.35 35.55 20.61 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.852 -1.067 . . . . 3.2 110.863 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -119.72 8.58 11.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 2.13 111.231 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 64.9 49.11 2.21 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.424 0.631 . . . . 2.02 110.41 175.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.37 119.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.137 0.494 . . . . 2.47 111.824 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -88.63 107.45 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.06 -0.518 . . . . 2.42 110.631 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.444 ' H ' ' CG ' ' A' ' 73' ' ' GLU . 6.3 t70 -94.71 -173.61 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.145 -1.057 . . . . 2.02 108.145 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -61.75 -42.49 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.196 0.453 . . . . 2.97 111.592 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -70.79 -40.91 72.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.355 0.598 . . . . 2.16 110.383 -178.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.6 mm-40 -60.99 -39.59 90.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.475 -0.935 . . . . 1.99 108.475 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 78' ' ' VAL . 63.3 t80 -67.72 -28.58 67.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.42 -0.809 . . . . 2.55 110.58 175.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.55 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.8 OUTLIER -65.85 -37.2 79.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.623 -0.717 . . . . 1.31 109.235 176.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 29.1 m -63.0 -39.89 96.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.361 -0.836 . . . . 1.27 109.304 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.491 HD21 ' CG2' ' A' ' 57' ' ' ILE . 1.9 tm? -58.89 -43.36 90.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 1.78 110.158 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -66.16 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.935 -0.394 . . . . 1.15 109.935 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.89 -50.42 73.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.264 0.554 . . . . 1.1 109.78 173.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.449 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -41.05 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.154 -0.93 . . . . 1.09 110.477 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.523 ' HB3' HD12 ' B' ' 8' ' ' LEU . . . -72.29 -42.52 65.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.368 -0.833 . . . . 1.0 112.361 -174.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 83.5 mt -68.34 -39.07 82.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.105 0.479 . . . . 1.1 109.844 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.558 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.1 OUTLIER -56.24 -56.22 23.63 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.353 -0.84 . . . . 2.26 109.64 172.245 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -63.29 -20.87 65.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.25 0.463 . . . . 1.24 112.25 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -69.98 -60.37 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.723 0.268 . . . . 1.1 111.723 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 88' ' ' HIS . 42.9 t-80 -86.39 -39.18 16.65 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.431 0.634 . . . . 3.4 110.964 -178.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.545 ' C ' ' H ' ' A' ' 89' ' ' THR . 15.3 t80 -84.13 23.25 1.08 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.885 0.874 . . . . 2.64 109.164 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 46.0 t60 -49.79 19.47 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.261 1.824 . . . . 4.09 115.291 -176.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.545 ' H ' ' C ' ' A' ' 87' ' ' TYR . 2.1 t -66.39 -35.09 79.45 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.13 -1.063 . . . . 1.46 108.13 172.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 . . . . . 0 N--CA 1.462 0.174 0 CA-C-N 114.448 -1.251 . . . . 4.28 109.3 174.163 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.477 0.656 . . . . 3.1 109.953 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.88 -20.57 57.94 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.977 -1.01 . . . . 2.51 110.166 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.552 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 81.9 m-70 -72.73 -43.05 63.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.823 -0.436 . . . . 2.85 109.823 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 81' ' ' ALA . 83.1 mt -68.36 -60.81 2.18 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.956 0.408 . . . . 1.1 110.868 177.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.21 -22.55 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.94 -0.573 . . . . 2.41 110.536 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.608 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -71.68 -38.41 61.22 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.48 112.224 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 7' ' ' HIS . 72.0 mt -66.79 -38.68 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.04 -0.726 . . . . 1.84 109.04 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.95 -33.54 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.976 -1.011 . . . . 1.22 110.182 172.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -71.29 -34.79 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 1.95 110.97 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.608 HG13 ' O ' ' B' ' 10' ' ' GLY . 23.1 mt -68.15 -38.7 80.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 109.574 -0.528 . . . . 2.55 109.574 177.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.09 -47.81 83.91 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.654 -0.869 . . . . 3.26 108.654 171.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -58.92 -23.86 61.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.852 -1.067 . . . . 2.85 110.884 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 3.5 110.599 -179.825 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.455 0.645 . . . . 3.39 111.455 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -81.12 -170.72 2.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.563 -0.744 . . . . 1.88 111.475 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.525 ' HD2' ' CE ' ' B' ' 51' ' ' LYS . 16.6 ttmt -53.83 -31.93 51.05 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 111.854 0.316 . . . . 1.93 111.854 -172.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.539 ' O ' ' HG3' ' B' ' 34' ' ' LYS . . . -58.06 -44.61 94.59 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 121.116 -0.564 . . . . 0.46 113.283 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -67.96 -44.09 77.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.371 0.605 . . . . 2.43 110.156 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.9 tp -64.41 -43.1 95.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.117 -0.947 . . . . 1.18 110.059 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 31' ' ' GLY . 1.6 pptp? -64.68 -31.03 72.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.068 -0.514 . . . . 2.4 110.329 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.698 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 39.1 mt-30 -61.74 -63.65 1.19 Allowed 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.579 -0.526 . . . . 2.62 109.579 172.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tt -48.92 -48.13 42.92 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 123.942 0.776 . . . . 1.11 110.735 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.0 mt -63.79 -53.3 53.0 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.113 0.783 . . . . 1.18 113.113 -174.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.445 HG22 ' HA ' ' B' ' 49' ' ' LYS . 36.7 p -66.12 -32.91 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.933 0.345 . . . . 1.64 111.933 -173.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.698 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.9 ptmm? -96.41 -35.13 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.789 0.663 . . . . 2.17 112.789 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.403 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 10.2 mm-40 -95.81 -43.68 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.178 0.513 . . . . 1.67 110.92 -171.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.405 HD21 ' CD1' ' A' ' 8' ' ' LEU . 13.6 mt -105.3 26.77 8.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.256 0.551 . . . . 2.07 109.695 -174.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.76 -39.52 25.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 114.621 -1.172 . . . . 1.25 113.308 -175.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -114.42 18.76 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.501 -0.48 . . . . 2.69 111.45 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.441 HG21 ' CD1' ' A' ' 8' ' ' LEU . 1.6 m -103.3 -54.32 2.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.48 0.657 . . . . 1.19 110.144 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.471 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.0 mt -92.06 144.04 10.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.088 -0.96 . . . . 1.13 109.788 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.485 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -60.95 123.89 18.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.193 -0.299 . . . . 2.14 110.193 -176.166 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.485 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 42.79 45.11 4.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.515 -0.766 . . . . 1.62 111.93 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.483 ' CG1' ' HB3' ' B' ' 37' ' ' LEU . 8.1 tp -60.57 -5.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.824 0.821 . . . . 1.19 111.265 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' B' ' 47' ' ' ASN . 0.1 OUTLIER -83.07 -16.79 45.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.224 -0.898 . . . . 1.76 109.992 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.43 ' O ' HG13 ' B' ' 54' ' ' ILE . 7.2 m-20 -84.78 128.42 34.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.312 -0.858 . . . . 1.59 111.383 -178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.525 ' CE ' ' HD2' ' B' ' 30' ' ' LYS . 23.0 tptm -63.47 -25.73 68.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.107 -0.951 . . . . 1.5 110.144 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.48 -37.57 74.25 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.488 0.661 . . . . 1.32 109.293 175.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.7 t -71.53 -43.22 72.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 114.87 -1.059 . . . . 1.23 109.163 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 50' ' ' ASP . 54.1 mt -64.63 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.639 -1.164 . . . . 1.1 111.302 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.92 -51.71 63.22 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.709 -0.848 . . . . 1.53 108.709 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 19.5 mm-40 -49.19 -43.93 42.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.622 -1.172 . . . . 1.77 111.387 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 73.1 mt -70.98 -57.78 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.943 -0.571 . . . . 1.62 111.458 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -52.77 -47.16 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.939 -0.573 . . . . 2.59 110.89 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -66.91 -26.79 67.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.468 -0.787 . . . . 2.08 110.48 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.34 -32.77 54.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 0.56 112.643 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.8 OUTLIER -82.22 -40.59 21.44 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.242 -0.651 . . . . 1.14 109.242 -179.441 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -75.99 73.07 2.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.11 -0.95 . . . . 1.4 110.716 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.97 -16.32 62.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.088 -0.96 . . . . 1.46 109.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.64 -20.53 56.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.14 -0.937 . . . . 3.55 110.143 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.9 35.45 19.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 114.978 -1.01 . . . . 3.2 110.788 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -119.56 8.5 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 2.14 111.43 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 64.91 49.22 2.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 2.01 110.419 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.53 119.76 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 2.47 111.884 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.59 107.5 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.084 -0.507 . . . . 2.42 110.672 170.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.453 ' H ' ' CG ' ' B' ' 73' ' ' GLU . 6.1 t70 -94.8 -173.51 3.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.171 -1.048 . . . . 2.02 108.171 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -61.74 -42.5 99.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.203 0.456 . . . . 2.98 111.659 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.419 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 0.9 OUTLIER -70.74 -40.88 72.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.405 0.621 . . . . 2.16 110.332 -178.094 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.6 mm-40 -61.05 -39.47 89.97 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.408 -0.96 . . . . 1.99 108.408 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.545 ' O ' HG23 ' B' ' 78' ' ' VAL . 63.1 t80 -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.372 -0.831 . . . . 2.55 110.501 176.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.8 OUTLIER -65.62 -37.61 80.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 1.32 109.174 176.049 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 20.2 m -62.47 -40.17 95.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.345 -0.843 . . . . 1.28 109.184 174.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.504 HD21 ' CG2' ' B' ' 57' ' ' ILE . 1.9 tm? -58.99 -43.29 91.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 1.78 110.148 177.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.3 t -66.21 -31.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.002 -0.37 . . . . 1.15 110.002 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.87 -50.27 74.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.288 0.566 . . . . 1.11 109.791 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.442 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.72 -41.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.237 -0.892 . . . . 1.09 110.418 175.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.518 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -72.23 -42.48 65.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.275 -0.875 . . . . 1.0 112.421 -174.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 83.6 mt -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.236 0.541 . . . . 1.1 109.852 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.55 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -56.2 -56.26 23.08 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.291 -0.868 . . . . 2.26 109.628 172.21 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -63.24 -20.95 65.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.317 0.488 . . . . 1.24 112.317 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -69.8 -60.36 2.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.727 0.269 . . . . 1.1 111.727 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.478 ' C ' ' H ' ' B' ' 88' ' ' HIS . 42.4 t-80 -86.59 -38.85 16.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.23 0.538 . . . . 3.39 110.95 -178.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.541 ' C ' ' H ' ' B' ' 89' ' ' THR . 15.2 t80 -84.55 23.6 1.11 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.809 0.844 . . . . 2.64 109.076 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' B' ' 86' ' ' HIS . 48.0 t60 -50.07 19.01 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.274 1.83 . . . . 4.09 115.259 -175.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.541 ' H ' ' C ' ' B' ' 87' ' ' TYR . 2.0 t -66.26 -34.9 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.084 -1.08 . . . . 1.47 108.084 173.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 . . . . . 0 N--CA 1.461 0.12 0 CA-C-N 114.465 -1.243 . . . . 4.28 109.403 174.057 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.499 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.9 pt-20 . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 114.726 1.38 . . . . 3.1 114.726 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -34.68 78.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.545 0.688 . . . . 2.51 109.747 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.49 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 26.9 m-70 -82.83 -39.67 21.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.595 -0.73 . . . . 2.85 111.577 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.561 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 79.0 mt -63.15 -61.01 2.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.373 0.606 . . . . 1.1 110.543 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.78 -25.53 65.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.169 -0.923 . . . . 2.41 109.896 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -70.46 -42.17 65.0 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.571 -0.74 . . . . 0.48 112.708 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' HIS . 62.9 mt -64.45 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 117.573 0.686 . . . . 1.84 109.253 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.85 -37.14 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.062 -0.972 . . . . 1.22 110.408 174.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.3 t30 -69.36 -41.73 76.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 1.95 110.657 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.95 -43.38 92.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.378 -0.374 . . . . 2.55 110.248 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.94 99.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.64 -0.504 . . . . 3.26 109.64 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -58.17 -37.85 75.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.753 0.311 . . . . 2.85 111.021 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 16.0 mm100 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 3.5 111.278 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.5 mt . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.289 0.566 . . . . 3.39 112.269 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 m -84.24 -170.52 3.13 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.287 0.847 . . . . 1.87 113.287 -168.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 8.6 ttpp -56.23 -20.02 16.43 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.092 -0.958 . . . . 1.93 113.26 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' LYS . . . -54.42 -55.36 27.21 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.36 -0.448 . . . . 0.47 114.024 -176.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -74.08 -29.61 61.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.798 0.332 . . . . 2.44 111.509 -175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.7 tp -60.14 -52.79 63.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.962 -0.755 . . . . 1.18 108.962 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 29.0 ttmt -48.42 -48.37 37.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.591 -1.186 . . . . 2.4 110.954 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.614 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 45.8 mt-30 -55.74 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 2.62 110.667 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -49.64 -47.31 49.94 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.301 0.572 . . . . 1.11 110.556 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -63.85 -52.42 60.16 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.885 -0.598 . . . . 1.18 112.381 -175.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.5 p -64.34 -35.41 80.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.431 -0.35 . . . . 1.64 111.75 -174.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.8 ptmt -97.4 -26.67 14.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.385 0.883 . . . . 2.17 113.385 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 63.3 mm-40 -99.04 -41.83 7.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.18 0.514 . . . . 1.67 111.079 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' B' ' 8' ' ' LEU . 15.6 mt -107.97 24.59 12.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.291 0.567 . . . . 2.07 109.928 -174.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.29 -39.98 10.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.255 -1.339 . . . . 1.25 113.831 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -117.83 28.6 8.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.276 0.56 . . . . 2.69 110.773 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.6 m -112.52 -60.69 1.83 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.46 0.647 . . . . 1.19 110.146 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 49.3 mt -86.3 138.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.032 -0.986 . . . . 1.14 109.54 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.506 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -54.96 123.06 12.29 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.657 0.265 . . . . 2.14 110.656 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.506 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.2 m120 44.94 44.9 8.38 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.236 -0.893 . . . . 1.62 111.745 177.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.8 tp -61.16 -10.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 1.19 110.875 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.7 mmmm -84.3 -10.87 57.27 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.27 -0.877 . . . . 1.76 110.215 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.92 129.44 37.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.541 -0.754 . . . . 1.58 111.25 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.75 -31.21 71.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.553 -1.203 . . . . 1.51 111.132 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.08 78.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.169 -0.678 . . . . 1.33 109.169 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 57' ' ' ILE . 26.7 t -72.34 -47.32 53.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.708 -1.133 . . . . 1.23 109.682 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 mt -60.49 -37.92 76.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.375 -0.829 . . . . 1.1 111.501 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.83 -54.87 36.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.323 -0.621 . . . . 1.53 109.323 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -46.49 -44.23 17.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.137 -0.938 . . . . 1.77 111.389 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.64 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 66.6 mt -70.59 -60.12 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 115.89 -0.596 . . . . 1.62 111.608 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 30' ' ' LYS . 83.4 t80 -55.47 -46.43 76.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.904 0.383 . . . . 2.59 110.955 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 59' ' ' GLN . 13.7 mm-40 -64.32 -25.11 67.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 2.08 110.504 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.78 -29.72 46.48 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.827 -0.701 . . . . 0.56 112.777 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 2.9 mt -84.95 -39.65 17.89 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.115 0.458 . . . . 1.14 110.033 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.43 67.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.403 -0.817 . . . . 1.4 110.552 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.23 -19.58 46.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.344 -0.844 . . . . 1.46 109.697 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -72.34 -20.07 61.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.374 -0.83 . . . . 3.54 109.845 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 62.8 36.81 12.85 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.761 -1.109 . . . . 3.2 112.664 172.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.19 9.84 11.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.719 0.295 . . . . 2.13 110.979 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 63.97 51.62 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.759 . . . . 2.02 109.894 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -149.26 118.32 6.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.603 -0.726 . . . . 2.47 110.582 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 p -80.9 107.45 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.656 0.741 . . . . 2.42 110.367 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.462 ' HB3' ' HG2' ' A' ' 73' ' ' GLU . 24.1 t70 -85.69 174.97 9.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.592 -0.731 . . . . 2.02 109.163 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -59.03 -34.54 72.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.308 0.504 . . . . 2.97 109.965 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.499 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 21.2 tt0 -68.34 -43.06 78.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 2.16 111.029 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.623 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.5 mm-40 -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.803 0.811 . . . . 1.99 109.333 178.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.617 ' O ' HG21 ' A' ' 78' ' ' VAL . 69.9 t80 -74.52 -20.61 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.575 . . . . 2.55 109.795 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.499 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -68.43 -40.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.625 -0.716 . . . . 1.31 109.674 177.645 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.52 ' O ' HD11 ' A' ' 80' ' ' ILE . 2.6 p -70.4 -29.28 65.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.985 -0.552 . . . . 1.27 109.765 173.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.5 tm? -59.23 -46.81 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.789 -0.449 . . . . 1.78 109.789 173.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.617 HG21 ' O ' ' A' ' 74' ' ' PHE . 16.7 t -64.09 -29.65 47.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.602 0 N-CA-C 109.623 -0.51 . . . . 1.15 109.623 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 76' ' ' SER . . . -61.6 -51.48 68.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.187 0.518 . . . . 1.1 109.997 174.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.52 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -55.24 -41.37 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.299 -0.864 . . . . 1.09 110.41 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -76.68 -33.44 58.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.436 -0.802 . . . . 1.0 112.588 -174.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 93.7 mt -73.76 -35.2 64.97 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 1.1 109.856 176.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.2 OUTLIER -62.63 -49.74 73.97 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.462 -0.79 . . . . 2.26 109.253 170.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -62.56 -22.21 66.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.563 . . . . 1.24 112.135 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.03 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.672 0.249 . . . . 1.1 111.672 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.59 -42.08 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.472 0.653 . . . . 3.4 110.661 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.523 ' C ' ' H ' ' A' ' 89' ' ' THR . 8.2 t80 -90.19 23.87 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.107 -0.951 . . . . 2.64 109.385 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.411 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 5.1 p-80 -46.32 19.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.721 2.119 . . . . 4.09 116.721 -175.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 87' ' ' TYR . 2.5 t -71.89 -45.33 61.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.57 -0.9 . . . . 1.46 108.57 173.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 123.641 0.777 . . . . 4.28 109.796 176.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.482 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.8 pt-20 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 114.626 1.343 . . . . 3.1 114.626 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.448 0.642 . . . . 2.51 109.753 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.495 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 27.0 m-70 -82.84 -39.93 21.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.535 -0.757 . . . . 2.85 111.607 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 78.9 mt -63.01 -60.97 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.246 0.546 . . . . 1.1 110.485 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.82 -25.31 65.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.229 -0.896 . . . . 2.41 109.852 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.49 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -70.67 -42.21 62.94 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.604 -0.726 . . . . 0.48 112.676 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 7' ' ' HIS . 62.9 mt -64.47 -40.25 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 117.593 0.697 . . . . 1.84 109.338 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.76 -37.22 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.121 -0.945 . . . . 1.22 110.389 174.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 8.9 t30 -69.41 -41.91 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 1.95 110.657 176.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.62 -43.5 91.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.292 -0.413 . . . . 2.55 110.269 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.05 -40.83 98.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.591 -0.522 . . . . 3.26 109.591 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -58.41 -37.69 75.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.705 0.288 . . . . 2.85 110.963 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 16.0 mm100 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 3.5 111.335 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HB2' ' CD ' ' B' ' 32' ' ' GLU . 66.9 mt . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 121.27 0.557 . . . . 3.39 112.25 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' B' ' 28' ' ' LEU . 15.5 m -84.47 -170.54 3.16 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.167 0.802 . . . . 1.88 113.167 -168.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.524 ' HB2' ' CG ' ' B' ' 58' ' ' PHE . 8.8 ttpp -56.03 -20.4 16.66 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.008 -0.996 . . . . 1.93 113.213 -177.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' B' ' 34' ' ' LYS . . . -54.13 -55.26 27.1 Favored Glycine 0 N--CA 1.463 0.434 0 C-N-CA 121.403 -0.427 . . . . 0.46 114.101 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.412 ' CD ' ' HB2' ' B' ' 28' ' ' LEU . 4.2 pt-20 -74.3 -29.46 61.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.853 0.359 . . . . 2.43 111.534 -175.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 37.1 tp -60.33 -52.73 64.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.993 -0.743 . . . . 1.18 108.993 172.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' B' ' 31' ' ' GLY . 28.8 ttmt -48.51 -48.25 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.506 -1.224 . . . . 2.4 110.922 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.605 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 46.3 mt-30 -55.71 -62.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.62 110.716 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -49.57 -47.47 49.23 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.302 0.573 . . . . 1.11 110.512 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.0 mt -63.71 -52.36 60.9 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.762 -0.654 . . . . 1.18 112.378 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.426 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.5 p -64.4 -35.49 81.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.437 -0.347 . . . . 1.64 111.729 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.7 ptmt -97.28 -26.89 14.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.38 0.881 . . . . 2.17 113.38 -175.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 64.2 mm-40 -98.98 -41.71 7.45 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.148 0.499 . . . . 1.67 111.105 -176.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 8' ' ' LEU . 15.5 mt -107.92 24.57 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.393 0.616 . . . . 2.07 109.963 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.33 -40.0 11.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.257 -1.338 . . . . 1.25 113.773 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -117.8 28.9 8.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.187 0.518 . . . . 2.69 110.795 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.499 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.6 m -112.73 -60.33 1.89 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.459 0.647 . . . . 1.19 110.324 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 48.9 mt -86.76 138.37 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.943 -1.026 . . . . 1.13 109.577 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -54.69 122.86 11.57 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 120.661 0.267 . . . . 2.14 110.695 -177.261 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.495 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 13.3 m120 45.22 44.91 9.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.021 -0.99 . . . . 1.62 111.835 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.8 tp -61.31 -10.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.816 0.817 . . . . 1.19 110.875 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.426 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.7 mmmm -84.7 -10.45 57.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.273 -0.876 . . . . 1.76 110.28 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.0 129.37 37.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.416 -0.811 . . . . 1.59 111.358 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.66 -31.18 71.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.595 -1.184 . . . . 1.5 111.157 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.82 77.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.264 -0.643 . . . . 1.32 109.264 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.6 t -72.55 -47.39 51.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.711 -1.131 . . . . 1.23 109.643 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.27 -38.07 76.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.339 -0.846 . . . . 1.1 111.563 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.69 -54.72 38.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 109.426 -0.583 . . . . 1.53 109.426 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -46.58 -44.27 17.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.142 -0.935 . . . . 1.77 111.341 176.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.638 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.1 mt -70.62 -60.18 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.828 -0.624 . . . . 1.62 111.57 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' B' ' 30' ' ' LYS . 84.0 t80 -55.52 -46.43 77.04 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.824 0.345 . . . . 2.59 110.917 -177.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.427 ' OE1' ' HA ' ' B' ' 59' ' ' GLN . 13.7 mm-40 -64.35 -25.05 67.86 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.688 -0.687 . . . . 2.08 110.341 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.24 -29.27 46.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.792 -0.718 . . . . 0.56 112.799 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 3.0 mt -84.86 -39.87 17.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 117.102 0.451 . . . . 1.14 110.1 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.42 67.78 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.304 -0.862 . . . . 1.4 110.569 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.16 -19.34 47.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 1.46 109.749 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.61 -19.73 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.268 -0.878 . . . . 3.55 109.963 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 62.26 37.26 14.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.683 -1.144 . . . . 3.2 112.48 171.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -120.53 9.77 10.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.73 0.3 . . . . 2.14 110.991 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 64.03 51.71 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 2.01 109.951 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.2 118.3 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 2.47 110.619 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.8 p -80.75 107.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.661 0.743 . . . . 2.42 110.358 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.449 ' HB3' ' HG2' ' B' ' 73' ' ' GLU . 22.3 t70 -85.8 175.06 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.029 -0.73 . . . . 2.02 109.029 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.285 0.493 . . . . 2.98 110.058 176.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 21.5 tt0 -68.33 -43.1 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 2.16 111.023 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.625 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.4 mm-40 -70.2 -31.05 68.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.727 0.775 . . . . 1.99 109.487 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.612 ' O ' HG21 ' B' ' 78' ' ' VAL . 69.8 t80 -74.43 -20.76 59.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 2.55 109.707 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.498 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -68.08 -40.61 83.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.616 -0.72 . . . . 1.32 109.734 177.448 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.524 ' O ' HD11 ' B' ' 80' ' ' ILE . 2.6 p -70.45 -29.19 65.69 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.005 -0.543 . . . . 1.28 109.628 173.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.5 tm? -59.32 -46.76 87.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.769 -0.456 . . . . 1.78 109.769 173.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.612 HG21 ' O ' ' B' ' 74' ' ' PHE . 16.8 t -64.06 -29.78 48.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.59 -0.522 . . . . 1.15 109.59 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' B' ' 76' ' ' SER . . . -61.59 -51.12 69.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.204 0.526 . . . . 1.11 109.962 174.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.524 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -55.74 -41.2 64.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.315 -0.857 . . . . 1.09 110.323 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.561 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -76.78 -33.47 58.05 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.434 -0.803 . . . . 1.0 112.57 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 93.7 mt -73.72 -35.07 65.05 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.344 0.592 . . . . 1.1 109.943 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.438 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -62.61 -49.61 74.54 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.558 -0.746 . . . . 2.26 109.211 170.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 88' ' ' HIS . . . -62.84 -22.05 66.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.032 -0.531 . . . . 1.24 112.065 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.22 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.779 0.288 . . . . 1.1 111.779 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.91 -42.28 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.456 0.645 . . . . 3.39 110.626 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.492 ' C ' ' H ' ' B' ' 89' ' ' THR . 8.4 t80 -90.11 23.73 2.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.087 -0.96 . . . . 2.64 109.303 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' B' ' 84' ' ' ALA . 5.2 p-80 -46.29 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.725 2.12 . . . . 4.09 116.725 -175.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.492 ' H ' ' C ' ' B' ' 87' ' ' TYR . 2.5 t -71.76 -45.55 61.32 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.559 -0.904 . . . . 1.47 108.559 173.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 N--CA 1.468 0.467 0 C-N-CA 123.637 0.775 . . . . 4.28 109.852 176.814 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 114.404 1.261 . . . . 3.1 114.404 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.54 -42.48 64.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 2.51 111.15 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.474 ' O ' HG13 ' A' ' 11' ' ' ILE . 16.6 m-70 -75.56 -55.22 5.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.436 -0.347 . . . . 2.85 110.51 -176.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.531 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 57.0 mt -62.19 -60.32 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.215 0.531 . . . . 1.1 111.559 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.34 -26.8 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.68 -0.691 . . . . 2.41 109.932 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.44 -38.27 90.81 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.915 -0.659 . . . . 0.48 112.577 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.9 mt -66.43 -42.31 90.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.243 -0.651 . . . . 1.84 109.243 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' A' ' 15' ' ' PHE . 71.1 t -64.71 -33.13 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 114.594 -1.184 . . . . 1.22 111.323 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -64.93 -43.27 93.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 1.95 111.393 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 mm -72.12 -23.86 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.116 0.484 . . . . 2.55 110.258 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.533 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 61.9 t80 -59.34 -42.81 92.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.297 -0.631 . . . . 3.26 109.297 171.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.23 -0.895 . . . . 2.85 110.657 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 3.5 112.243 -176.881 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 121.038 0.447 . . . . 3.39 110.59 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.7 p -85.75 -172.73 4.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.417 -0.356 . . . . 1.87 111.402 -176.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -65.59 -27.21 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.058 -0.257 . . . . 1.93 111.328 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 -41.85 99.64 Favored Glycine 0 CA--C 1.513 -0.089 0 C-N-CA 120.558 -0.829 . . . . 0.47 112.099 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.36 -42.2 75.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.289 0.566 . . . . 2.44 110.427 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 23.3 tp -62.39 -51.55 67.14 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.152 -0.931 . . . . 1.18 109.639 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -53.44 -46.04 69.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 2.4 111.089 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -53.25 -58.77 5.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.256 -0.429 . . . . 2.62 110.042 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.5 tt -54.38 -51.63 64.23 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.936 0.398 . . . . 1.11 110.599 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 97.0 mt -58.85 -49.67 76.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.757 0.651 . . . . 1.18 112.757 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 28.7 p -66.39 -31.55 72.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.003 0.371 . . . . 1.64 112.003 -174.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -96.62 -22.56 16.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.721 0.638 . . . . 2.17 112.721 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 24.6 mm-40 -103.36 -46.48 4.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.964 0.411 . . . . 1.67 111.826 -174.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.14 22.2 16.36 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.071 -0.513 . . . . 2.07 109.765 -174.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -48.13 -34.32 9.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.767 -1.106 . . . . 1.25 113.036 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -122.38 35.75 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.447 0.641 . . . . 2.69 110.771 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.9 m -119.73 -62.81 1.45 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.304 0.573 . . . . 1.19 109.941 174.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 57.0 mt -84.71 133.29 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.267 -0.879 . . . . 1.14 109.753 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.23 127.0 22.89 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 123.359 0.412 . . . . 2.14 110.909 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.3 m120 48.34 39.77 13.11 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.918 0.761 . . . . 1.62 111.406 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.0 tp -62.65 -8.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 122.09 0.948 . . . . 1.19 110.25 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -84.66 -12.95 52.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.744 -1.116 . . . . 1.76 110.214 178.535 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.34 129.41 34.86 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.691 -0.686 . . . . 1.58 110.53 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.75 -26.41 67.71 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.574 -0.739 . . . . 1.51 109.702 178.18 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.33 78.03 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.64 0.733 . . . . 1.33 109.393 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.0 t -74.69 -45.2 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.61 -1.177 . . . . 1.23 109.397 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.89 -38.55 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.921 -1.036 . . . . 1.1 111.438 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 1.1 t70 -66.62 -43.34 85.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.169 -0.678 . . . . 1.53 109.169 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 28.6 mm-40 -50.85 -47.2 60.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 1.77 110.941 174.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.584 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 63.2 mt -71.85 -53.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.824 -0.625 . . . . 1.62 110.903 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 88.2 t80 -52.08 -48.57 64.63 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.336 -0.847 . . . . 2.59 110.818 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.551 ' HA ' HE21 ' A' ' 59' ' ' GLN . 0.0 OUTLIER -68.11 -25.9 65.54 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.795 -0.639 . . . . 2.08 110.695 -179.411 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.48 73.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.895 -0.669 . . . . 0.56 111.736 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -90.08 -39.99 12.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.542 -0.54 . . . . 1.14 109.542 179.179 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.41 69.89 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.498 0.666 . . . . 1.4 110.007 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.82 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 1.46 110.975 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -86.88 -11.63 50.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.224 0.535 . . . . 3.54 110.131 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 60.55 43.04 13.33 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.101 -0.954 . . . . 3.2 110.572 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -99.85 -10.7 21.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 2.13 109.825 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 34.3 mt-10 65.29 29.59 11.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.763 -1.108 . . . . 2.02 111.696 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -139.58 120.3 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.102 -0.499 . . . . 2.47 110.607 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.03 115.28 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.666 -0.697 . . . . 2.42 110.828 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.523 ' HB3' ' HG2' ' A' ' 73' ' ' GLU . 20.1 t70 -79.16 166.8 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 2.02 109.086 173.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.458 ' HD1' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 m-85 -56.21 -36.82 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.242 0.544 . . . . 2.97 110.286 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.561 ' HB2' ' HZ1' ' B' ' 83' ' ' LYS . 62.0 tt0 -69.32 -40.65 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.374 -0.83 . . . . 2.16 110.445 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.523 ' HG2' ' HB3' ' A' ' 70' ' ' ASP . 2.5 mm-40 -73.16 -30.48 63.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.647 -0.706 . . . . 1.99 109.892 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.576 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 80.4 t80 -70.41 -23.09 62.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.527 0.68 . . . . 2.55 109.462 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.618 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.7 mt -70.78 -40.34 76.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.425 -0.807 . . . . 1.31 109.472 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.657 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.35 -23.49 63.77 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.072 -0.513 . . . . 1.27 110.251 173.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.576 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.2 tm? -60.81 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.893 -0.781 . . . . 1.78 108.893 172.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 8.6 t -63.17 -31.4 52.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 CA-C-N 115.613 -0.721 . . . . 1.15 109.514 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -59.04 -50.69 73.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 1.1 110.714 176.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 76' ' ' SER . 1.4 mp -58.15 -38.77 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.313 -0.858 . . . . 1.09 110.311 177.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.545 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -75.39 -37.44 60.51 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.716 -176.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -64.9 -35.37 80.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.572 0.701 . . . . 1.1 109.294 173.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.613 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 13.3 mttp -75.84 -20.76 57.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.292 -0.867 . . . . 2.26 111.105 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.87 -24.94 62.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.27 0.557 . . . . 1.24 109.654 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.83 -57.51 3.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.45 -0.795 . . . . 1.1 111.286 173.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.435 ' C ' ' H ' ' A' ' 88' ' ' HIS . 38.6 t60 -83.41 -57.85 3.07 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 3.4 111.783 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.53 ' C ' ' H ' ' A' ' 89' ' ' THR . 21.2 t80 -83.46 22.4 1.05 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 2.64 110.148 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 86' ' ' HIS . 6.2 p-80 -47.12 19.97 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.556 1.942 . . . . 4.09 116.186 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 87' ' ' TYR . 39.5 p -67.99 -44.9 75.57 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.925 -0.485 . . . . 1.46 111.211 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m80 . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 4.28 110.436 179.037 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 114.515 1.302 . . . . 3.1 114.515 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.26 -42.48 63.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 2.51 111.177 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.469 ' O ' HG13 ' B' ' 11' ' ' ILE . 16.7 m-70 -75.63 -55.17 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.415 -0.357 . . . . 2.85 110.446 -176.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.545 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 56.8 mt -62.35 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 1.1 111.526 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.32 -26.92 63.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.672 -0.695 . . . . 2.41 109.945 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.61 92.1 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.941 -0.647 . . . . 0.48 112.493 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.4 mt -66.24 -42.13 90.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.242 -0.651 . . . . 1.84 109.242 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.546 ' O ' ' HB3' ' B' ' 15' ' ' PHE . 70.0 t -64.73 -33.53 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.727 -1.124 . . . . 1.22 111.2 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.66 -43.56 93.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.95 111.266 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 mm -71.89 -23.83 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.004 0.43 . . . . 2.55 110.198 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.546 ' HB3' ' O ' ' B' ' 12' ' ' VAL . 61.7 t80 -59.48 -42.53 92.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.276 -0.639 . . . . 3.26 109.276 171.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.41 -21.91 61.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.258 -0.883 . . . . 2.85 110.647 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 3.5 112.34 -176.68 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 121.034 0.445 . . . . 3.39 110.543 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -85.84 -172.76 4.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.469 -0.332 . . . . 1.88 111.466 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.43 -27.29 68.42 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.99 -0.284 . . . . 1.93 111.341 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.02 99.67 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.584 -0.817 . . . . 0.46 111.942 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.34 -42.06 75.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 2.43 110.443 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 23.5 tp -62.51 -51.47 67.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.229 -0.896 . . . . 1.18 109.635 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.38 -45.93 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.458 -0.792 . . . . 2.4 111.112 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.48 -58.72 6.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.181 -0.463 . . . . 2.62 110.027 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 9.4 tt -54.33 -51.7 63.87 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 123.289 0.368 . . . . 1.11 110.591 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.0 mt -58.83 -49.68 76.83 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.723 0.638 . . . . 1.18 112.723 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 29.6 p -66.34 -31.48 72.3 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.073 0.397 . . . . 1.64 112.073 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -96.56 -22.68 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.803 0.668 . . . . 2.17 112.803 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 25.7 mm-40 -103.41 -46.43 4.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.935 0.398 . . . . 1.67 111.8 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 8' ' ' LEU . 15.8 mt -107.17 22.14 16.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.1 -0.5 . . . . 2.07 109.735 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -48.05 -34.71 9.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.738 -1.119 . . . . 1.25 112.902 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -122.06 35.84 4.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.403 0.62 . . . . 2.69 110.657 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 16.7 m -119.81 -62.68 1.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.545 . . . . 1.19 109.972 174.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 57.1 mt -84.9 133.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.251 -0.886 . . . . 1.13 109.742 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 127.04 22.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.346 0.404 . . . . 2.14 110.856 -178.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 9.2 m120 48.44 39.64 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.84 0.712 . . . . 1.62 111.418 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.0 tp -62.62 -8.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 122.049 0.928 . . . . 1.19 110.277 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.76 -12.61 53.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.709 -1.132 . . . . 1.76 110.159 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.6 128.91 35.02 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 115.643 -0.708 . . . . 1.59 110.617 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.48 68.07 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.44 -0.8 . . . . 1.5 109.894 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.74 78.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.507 0.67 . . . . 1.32 109.365 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.437 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -74.22 -45.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.5 -1.227 . . . . 1.23 109.509 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.05 -38.68 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.885 -1.052 . . . . 1.1 111.386 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 1.0 OUTLIER -66.51 -43.25 85.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.055 -0.72 . . . . 1.53 109.055 -178.671 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -51.0 -47.08 61.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.162 -0.926 . . . . 1.77 110.981 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 63.4 mt -71.93 -53.03 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.819 -0.628 . . . . 1.62 110.872 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.468 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 87.9 t80 -52.2 -48.56 65.0 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.357 -0.838 . . . . 2.59 110.77 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.568 ' HA ' HE21 ' B' ' 59' ' ' GLN . 0.0 OUTLIER -68.22 -25.82 65.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.682 -0.69 . . . . 2.08 110.723 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.69 -31.45 70.52 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.801 -0.714 . . . . 0.56 111.833 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -90.57 -39.91 12.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.53 -0.544 . . . . 1.14 109.53 178.754 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -77.62 70.13 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.608 0.718 . . . . 1.4 110.011 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.22 -17.3 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.561 -0.745 . . . . 1.46 111.003 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -87.4 -11.3 49.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.266 0.555 . . . . 3.55 110.163 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.11 43.39 14.3 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.14 -0.936 . . . . 3.2 110.571 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.88 -10.95 21.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.504 -0.771 . . . . 2.14 109.744 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.468 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 34.2 mt-10 65.06 30.4 11.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.731 -1.122 . . . . 2.01 111.637 -177.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.31 120.49 13.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.984 -0.553 . . . . 2.47 110.544 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.54 114.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.614 -0.721 . . . . 2.42 110.797 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.517 ' HB3' ' HG2' ' B' ' 73' ' ' GLU . 21.3 t70 -78.79 166.8 22.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.302 -0.629 . . . . 2.02 109.302 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.468 ' HD1' ' CZ ' ' B' ' 15' ' ' PHE . 1.6 m-85 -56.31 -37.04 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.327 0.584 . . . . 2.98 110.15 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.545 ' HB2' ' HZ1' ' A' ' 83' ' ' LYS . 61.8 tt0 -69.02 -40.52 78.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.353 -0.839 . . . . 2.16 110.663 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.517 ' HG2' ' HB3' ' B' ' 70' ' ' ASP . 2.5 mm-40 -73.29 -30.52 63.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.634 -0.712 . . . . 1.99 109.858 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.573 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 80.6 t80 -70.44 -23.03 62.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.593 0.711 . . . . 2.55 109.498 173.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.613 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.7 mt -70.59 -40.58 77.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.412 -0.813 . . . . 1.32 109.465 176.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.641 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.0 p -69.41 -23.19 63.68 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.068 -0.514 . . . . 1.28 110.246 173.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.573 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.2 tm? -60.88 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.92 -0.77 . . . . 1.78 108.92 172.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 8.9 t -63.26 -31.29 52.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-N 115.562 -0.744 . . . . 1.15 109.473 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.14 -50.77 72.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.078 -0.51 . . . . 1.11 110.678 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.641 HD13 ' O ' ' B' ' 76' ' ' SER . 1.4 mp -58.09 -38.68 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 1.09 110.29 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.531 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -75.55 -37.32 60.06 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.514 -0.766 . . . . 1.0 111.706 -176.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.2 mt -65.0 -35.19 80.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.56 0.695 . . . . 1.1 109.376 173.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.618 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 13.4 mttp -75.93 -20.78 57.69 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.298 -0.865 . . . . 2.26 111.097 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.9 -24.9 62.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.317 0.579 . . . . 1.24 109.562 173.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.05 -57.69 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.439 -0.801 . . . . 1.1 111.127 173.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.451 ' C ' ' H ' ' B' ' 88' ' ' HIS . 39.0 t60 -83.13 -58.11 2.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.929 0.395 . . . . 3.39 111.637 -174.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.543 ' C ' ' H ' ' B' ' 89' ' ' THR . 20.9 t80 -83.21 22.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.177 0.591 . . . . 2.64 110.209 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . 0.451 ' H ' ' C ' ' B' ' 86' ' ' HIS . 6.2 p-80 -47.25 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.663 1.985 . . . . 4.09 116.187 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.543 ' H ' ' C ' ' B' ' 87' ' ' TYR . 41.2 p -67.77 -45.15 75.69 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.935 -0.478 . . . . 1.47 111.264 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 m80 . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.378 0.609 . . . . 4.28 110.513 179.217 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.511 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.225 0 N-CA-C 112.074 0.398 . . . . 3.1 112.074 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 35.4 mt-10 -61.59 -33.97 74.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.341 0.591 . . . . 2.51 110.485 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.42 -58.61 3.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.822 -0.626 . . . . 2.85 110.525 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.521 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 82.0 mt -64.0 -60.07 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 1.1 111.453 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.35 -25.03 64.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.566 -0.531 . . . . 2.41 109.566 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.597 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.71 -43.43 97.81 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.864 -0.684 . . . . 0.48 112.496 174.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.26 -45.93 92.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.185 0.517 . . . . 1.84 109.869 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.565 ' CG1' ' HB2' ' B' ' 86' ' ' HIS . 4.1 t -51.03 -42.85 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.371 -0.831 . . . . 1.22 111.4 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.43 -34.54 77.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 1.95 111.126 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.6 mm -68.05 -41.27 84.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 120.832 0.349 . . . . 2.55 110.207 177.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 74' ' ' PHE . 22.3 m-85 -58.56 -49.75 76.31 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.044 -0.724 . . . . 3.26 109.044 173.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.83 -21.27 64.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.026 -0.988 . . . . 2.85 111.326 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.372 -0.377 . . . . 3.5 111.599 -178.603 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 2.1 mm? . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 107.987 -1.116 . . . . 3.39 107.987 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 m -104.73 -172.92 2.19 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.829 0.677 . . . . 1.87 112.829 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 2.1 ttmp? -66.86 -35.88 81.05 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.311 -0.404 . . . . 1.93 111.034 -177.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.97 -44.02 87.83 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 121.293 -0.479 . . . . 0.47 113.186 -177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.33 -39.67 89.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.081 0.467 . . . . 2.44 110.642 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.4 tp -62.52 -46.05 90.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.795 . . . . 1.18 109.636 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 59.9 tttm -56.02 -45.44 79.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.343 -0.844 . . . . 2.4 111.472 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.633 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.0 mp0 -57.67 -61.26 2.64 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.014 -0.274 . . . . 2.62 110.336 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.3 tt -49.14 -43.89 42.12 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 123.856 0.722 . . . . 1.11 110.974 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 91.2 mt -68.27 -50.86 50.88 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.262 0.467 . . . . 1.18 112.262 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.47 HG23 ' HA ' ' A' ' 49' ' ' LYS . 31.7 p -65.79 -29.29 69.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.384 -0.371 . . . . 1.64 111.804 -175.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.9 ptmt -96.88 -39.87 9.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.678 0.621 . . . . 2.17 112.678 -177.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 10.3 mm-40 -92.86 -46.48 7.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.855 0.36 . . . . 1.67 111.532 -170.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.5 mt -102.87 23.32 12.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.227 0.536 . . . . 2.07 109.803 -174.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.864 -1.062 . . . . 1.25 111.97 -178.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -110.8 25.1 12.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.89 -0.595 . . . . 2.69 110.632 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.53 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 13.4 m -120.41 -65.57 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.54 . . . . 1.19 110.683 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.527 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 46.1 mt -84.16 137.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.024 -0.989 . . . . 1.14 110.645 -174.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -58.7 127.36 31.81 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.596 -0.275 . . . . 2.14 110.566 -179.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.438 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 3.9 m-20 48.65 39.5 13.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.501 -0.772 . . . . 1.62 110.931 175.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.527 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 9.1 tp -63.21 -8.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 122.247 1.022 . . . . 1.19 110.032 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' A' ' 38' ' ' THR . 14.1 mmmm -82.27 -12.28 58.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.45 -1.25 . . . . 1.76 109.893 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.5 133.34 35.12 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 121.493 0.664 . . . . 1.58 110.686 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.45 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -62.19 -27.47 69.0 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.638 -1.165 . . . . 1.51 110.77 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.86 74.08 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.664 0.745 . . . . 1.33 109.469 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.6 t -76.78 -42.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.781 -1.1 . . . . 1.23 109.41 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.409 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.4 mt -61.91 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.203 -0.908 . . . . 1.1 111.101 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 17.0 t70 -60.63 -54.25 47.63 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 115.526 -0.761 . . . . 1.53 109.466 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -45.6 -46.18 14.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.311 -0.859 . . . . 1.77 111.439 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 53' ' ' VAL . 51.8 mt -69.21 -57.6 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.22 -0.446 . . . . 1.62 111.047 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.486 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 91.8 t80 -55.9 -44.51 78.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 2.59 110.941 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 71.7 mm-40 -62.15 -29.49 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.863 -0.608 . . . . 2.08 109.986 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.53 -22.44 75.35 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.56 112.987 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -97.05 -41.44 8.36 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 117.315 0.558 . . . . 1.14 109.903 179.699 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.21 76.67 0.09 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.138 0.899 . . . . 1.4 110.693 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.67 -16.35 54.21 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.816 -1.084 . . . . 1.46 109.441 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.29 -20.42 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.919 -1.037 . . . . 3.54 109.963 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 60.05 34.44 21.37 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 114.623 -1.172 . . . . 3.2 111.545 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -135.36 17.05 3.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.812 0.815 . . . . 2.13 109.66 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 60.99 52.8 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.526 -1.215 . . . . 2.02 109.982 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -134.55 116.84 15.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.532 -0.758 . . . . 2.47 109.673 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 4.6 p -103.69 107.97 23.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 121.542 0.686 . . . . 2.42 110.507 176.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.85 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.649 . . . . 2.02 109.535 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -61.61 -26.54 68.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.994 0.426 . . . . 2.97 110.92 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.594 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 51.8 tt0 -70.45 -35.44 73.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.309 0.576 . . . . 2.16 110.364 172.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 35.0 mt-10 -80.43 -29.95 37.61 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 1.99 109.989 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 22.9 m-85 -62.32 -27.59 69.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.326 0.584 . . . . 2.55 109.536 166.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -68.38 -40.43 82.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.362 -0.836 . . . . 1.31 109.328 176.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.54 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 49.1 m -59.84 -36.06 76.04 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.538 -0.756 . . . . 1.27 109.884 173.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.563 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 7.1 tp -57.63 -46.31 84.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.78 110.731 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.9 t -67.21 -25.89 34.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 1.15 109.817 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -61.93 -48.81 78.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.287 0.565 . . . . 1.1 109.597 172.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.531 HD11 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -62.24 -37.59 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.166 -0.924 . . . . 1.09 110.405 176.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.51 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -76.97 -38.43 53.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.908 -0.587 . . . . 1.0 112.388 -174.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.9 mt -69.22 -36.11 76.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.625 0.726 . . . . 1.1 109.092 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.501 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -59.55 -38.39 80.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.729 -1.123 . . . . 2.26 109.891 171.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.09 -22.95 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.845 . . . . 1.24 111.666 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.3 -58.55 2.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.516 -0.311 . . . . 1.1 111.539 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.549 ' HB2' ' CG1' ' B' ' 12' ' ' VAL . 72.7 t60 -86.21 -50.64 6.83 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.292 0.479 . . . . 3.4 112.292 -174.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.549 ' O ' HG22 ' A' ' 89' ' ' THR . 4.6 t80 -89.74 23.04 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.766 -0.457 . . . . 2.64 109.766 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -45.74 20.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 117.029 2.233 . . . . 4.09 117.029 -174.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 87' ' ' TYR . 4.5 t -62.98 -33.69 75.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 118.738 0.699 . . . . 1.46 112.865 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.526 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 27.3 t60 . . . . . 0 N--CA 1.47 0.56 0 O-C-N 122.052 -0.405 . . . . 4.28 111.591 -177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.53 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.174 0 N-CA-C 112.085 0.402 . . . . 3.1 112.085 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.445 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 34.8 mt-10 -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.444 0.64 . . . . 2.51 110.483 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.54 -58.56 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.815 -0.63 . . . . 2.85 110.489 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.51 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 82.3 mt -63.98 -59.96 3.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 1.1 111.509 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -68.6 -24.87 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 2.41 109.64 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.59 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.95 -43.32 97.63 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.793 -0.718 . . . . 0.48 112.41 174.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.27 -46.04 91.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 1.84 109.819 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 86' ' ' HIS . 4.1 t -51.05 -42.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.297 -0.865 . . . . 1.22 111.495 171.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -67.32 -34.84 78.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.637 -0.71 . . . . 1.95 111.048 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.59 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.5 mm -67.97 -41.12 84.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-O 120.816 0.341 . . . . 2.55 110.235 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 74' ' ' PHE . 22.3 m-85 -58.63 -49.94 75.65 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.035 -0.728 . . . . 3.26 109.035 173.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.64 -21.57 64.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.079 -0.964 . . . . 2.85 111.119 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.565 -0.289 . . . . 3.5 111.513 -178.38 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' B' ' 69' ' ' VAL . 2.1 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.0 -1.111 . . . . 3.39 108.0 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -104.69 -172.88 2.18 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.776 0.658 . . . . 1.88 112.776 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 2.1 ttmp? -66.85 -35.86 81.0 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.29 -0.414 . . . . 1.93 111.119 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.12 87.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.31 -0.471 . . . . 0.46 113.166 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -66.36 -39.7 89.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 2.43 110.713 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.8 tp -62.28 -46.15 90.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.429 -0.805 . . . . 1.18 109.675 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.416 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 59.7 tttm -56.0 -45.48 79.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.357 -0.838 . . . . 2.4 111.556 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.623 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.0 mp0 -57.43 -61.51 2.44 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.277 -0.268 . . . . 2.62 110.277 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.3 tt -49.2 -43.54 42.41 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.812 0.695 . . . . 1.11 111.027 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 90.3 mt -68.5 -50.9 48.82 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 112.276 0.473 . . . . 1.18 112.276 -177.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.462 HG23 ' HA ' ' B' ' 49' ' ' LYS . 28.7 p -65.78 -28.97 69.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.373 -0.376 . . . . 1.64 111.766 -175.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 17.9 ptmt -97.17 -40.07 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.6 0.592 . . . . 2.17 112.6 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.47 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 9.8 mm-40 -92.74 -46.39 7.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.928 0.394 . . . . 1.67 111.6 -170.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 mt -102.82 23.23 12.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.218 0.532 . . . . 2.07 109.818 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.512 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -56.21 -30.35 62.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.817 -1.083 . . . . 1.25 111.937 -178.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -111.05 24.83 12.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.92 -0.582 . . . . 2.69 110.74 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.511 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 12.3 m -120.23 -66.16 1.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.279 0.561 . . . . 1.19 110.502 177.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 46.6 mt -83.65 137.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.119 -0.946 . . . . 1.13 110.499 -173.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -58.89 127.26 31.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.538 -0.301 . . . . 2.14 110.674 -179.159 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.425 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 3.9 m-20 48.74 39.54 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.56 -0.746 . . . . 1.62 110.837 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -63.25 -8.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 122.284 1.04 . . . . 1.19 110.023 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.462 ' HA ' HG23 ' B' ' 38' ' ' THR . 14.0 mmmm -82.46 -12.07 58.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.32 -1.309 . . . . 1.76 109.959 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.68 133.54 35.07 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.492 0.663 . . . . 1.59 110.639 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.458 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -62.36 -27.24 68.93 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.591 -1.186 . . . . 1.5 110.68 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.96 74.24 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.603 0.716 . . . . 1.32 109.484 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.522 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.4 t -76.83 -42.24 33.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.652 -1.158 . . . . 1.23 109.405 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.6 mt -61.81 -39.72 84.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 1.1 111.148 174.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 16.5 t70 -60.59 -54.28 47.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.512 -0.767 . . . . 1.53 109.456 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -45.64 -45.93 14.28 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.291 -0.868 . . . . 1.77 111.461 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 53' ' ' VAL . 52.3 mt -69.48 -57.47 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 116.241 -0.436 . . . . 1.62 111.066 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.484 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 91.6 t80 -55.84 -44.65 78.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.951 -0.568 . . . . 2.59 110.999 -176.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.1 mm-40 -62.05 -28.97 69.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.777 -0.647 . . . . 2.08 110.105 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.91 -22.47 74.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.56 113.081 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -97.04 -41.45 8.36 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 117.301 0.551 . . . . 1.14 109.791 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.23 76.51 0.09 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.962 0.887 . . . . 1.4 110.762 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.53 -16.31 54.55 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.899 -1.046 . . . . 1.46 109.38 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.36 -20.25 61.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.864 -1.062 . . . . 3.55 110.043 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 59.81 34.39 21.86 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.635 -1.166 . . . . 3.2 111.558 173.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -135.39 16.85 3.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.694 0.759 . . . . 2.14 109.642 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 60.92 53.02 3.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.67 -1.15 . . . . 2.01 110.045 -174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -134.71 116.44 14.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.46 -0.791 . . . . 2.47 109.786 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' B' ' 28' ' ' LEU . 4.7 p -103.36 108.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.515 0.674 . . . . 2.42 110.44 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.07 167.8 21.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.794 -0.639 . . . . 2.02 109.417 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 2.98 110.918 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.591 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 51.7 tt0 -70.81 -35.27 72.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 2.16 110.378 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 35.1 mt-10 -80.52 -29.96 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.936 -0.575 . . . . 1.99 110.039 178.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 22.7 m-85 -62.42 -27.58 69.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.417 0.627 . . . . 2.55 109.488 166.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.591 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -68.38 -40.36 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.334 -0.848 . . . . 1.32 109.398 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.538 ' O ' ' HB1' ' B' ' 79' ' ' ALA . 50.7 m -59.81 -36.13 76.12 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.545 -0.752 . . . . 1.28 109.927 173.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.554 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 7.0 tp -57.45 -46.44 83.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.827 0.346 . . . . 1.78 110.731 176.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.442 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 10.0 t -67.26 -25.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.152 -0.476 . . . . 1.15 109.881 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -61.8 -49.18 77.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.283 0.564 . . . . 1.11 109.513 172.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.52 HD11 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -61.97 -37.54 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.13 -0.941 . . . . 1.09 110.498 176.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.521 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -77.06 -38.39 52.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.605 . . . . 1.0 112.348 -174.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.9 mt -69.24 -36.08 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.761 . . . . 1.1 109.143 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -59.59 -38.5 81.4 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.683 -1.144 . . . . 2.26 109.86 172.014 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.16 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.287 -0.869 . . . . 1.24 111.742 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.407 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.11 -58.74 2.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.438 -0.346 . . . . 1.1 111.472 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.565 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 71.9 t60 -86.32 -50.25 7.07 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.278 0.473 . . . . 3.39 112.278 -174.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.533 ' O ' HG22 ' B' ' 89' ' ' THR . 4.5 t80 -89.87 23.13 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 2.64 109.811 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -45.97 20.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.912 2.19 . . . . 4.09 116.912 -174.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 87' ' ' TYR . 4.3 t -62.61 -34.53 77.2 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.756 0.707 . . . . 1.47 112.841 -177.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.535 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 27.1 t60 . . . . . 0 N--CA 1.47 0.526 0 O-C-N 122.003 -0.436 . . . . 4.28 111.571 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.446 ' CD ' ' HB3' ' B' ' 43' ' ' ASN . 3.9 mp0 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 108.912 -0.773 . . . . 3.1 108.912 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 38.7 tt0 -61.2 -18.57 58.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.306 -1.315 . . . . 2.51 111.849 -174.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.432 ' HA ' ' HA ' ' B' ' 7' ' ' HIS . 78.8 m-70 -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.403 -0.592 . . . . 2.85 109.403 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' B' ' 81' ' ' ALA . 41.6 mt -65.03 -59.74 3.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.897 -1.047 . . . . 1.1 111.249 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.07 -21.95 66.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 2.41 110.569 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.68 -35.76 74.5 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.724 -0.75 . . . . 0.48 112.149 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.87 -38.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.942 0.877 . . . . 1.84 109.582 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG21 ' HB1' ' B' ' 85' ' ' ALA . 99.0 t -69.3 -41.48 81.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.888 -1.051 . . . . 1.22 111.774 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -80.04 -19.29 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.065 0.395 . . . . 1.95 112.065 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 pt -79.52 -31.68 14.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.082 -0.647 . . . . 2.55 110.26 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.21 -43.68 73.63 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.529 -0.915 . . . . 3.26 108.529 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -57.86 -32.52 67.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.752 -1.113 . . . . 2.85 110.17 174.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.585 -0.734 . . . . 3.5 112.148 -174.047 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 68' ' ' GLN . 78.1 mt . . . . . 0 C--O 1.222 -0.368 0 N-CA-C 109.188 -0.671 . . . . 3.39 109.188 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 m -103.58 -172.7 2.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.844 0.683 . . . . 1.87 112.844 -170.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 25.0 ttmt -75.64 -24.94 56.49 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.93 111.503 -174.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.09 -58.55 13.99 Favored Glycine 0 C--N 1.327 0.075 0 C-N-CA 121.035 -0.602 . . . . 0.47 113.117 -176.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -63.28 -38.32 90.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.002 0.429 . . . . 2.44 111.22 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 16.5 tp -55.06 -50.08 70.01 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.215 -0.902 . . . . 1.18 109.421 175.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 60.7 tttm -56.05 -46.83 78.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.663 -1.153 . . . . 2.4 111.437 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.2 mp0 -56.4 -60.21 3.85 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 110.201 -0.296 . . . . 2.62 110.201 174.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -48.97 -50.59 34.93 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.762 0.664 . . . . 1.11 110.743 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.1 mt -60.28 -50.06 75.15 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.357 0.503 . . . . 1.18 112.357 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.517 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 50.8 p -70.34 -27.75 64.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.071 0.397 . . . . 1.64 112.071 -174.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -97.62 -31.3 12.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.699 0.629 . . . . 2.17 112.699 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -101.07 -39.54 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 1.67 111.289 -172.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.81 20.95 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.744 -0.465 . . . . 2.07 109.744 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 38' ' ' THR . . . -52.8 -30.88 35.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.065 -0.97 . . . . 1.25 112.706 -176.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.46 ' HB3' ' CD ' ' B' ' 5' ' ' GLU . 65.5 t30 -115.68 26.09 10.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.033 0.444 . . . . 2.69 111.395 -173.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -118.87 -64.19 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.283 0.564 . . . . 1.19 110.345 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 44.7 mt -81.58 132.45 31.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.302 -0.863 . . . . 1.14 110.009 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 1.9 pptp? -54.85 124.26 16.03 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.814 0.34 . . . . 2.14 110.604 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 48.82 43.74 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.295 -0.866 . . . . 1.62 111.568 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -61.93 -9.17 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.993 0.902 . . . . 1.19 110.2 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.5 OUTLIER -79.14 -13.21 59.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.959 -1.018 . . . . 1.76 110.049 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.34 127.78 35.19 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.652 -0.704 . . . . 1.58 111.129 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 21.4 tptp -64.1 -24.96 67.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.765 -1.107 . . . . 1.51 110.699 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.97 63.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.466 -0.568 . . . . 1.33 109.466 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.3 t -73.31 -44.54 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.144 -0.935 . . . . 1.23 108.994 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.413 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 73.0 mt -64.35 -37.41 79.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.859 -1.064 . . . . 1.1 111.365 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.628 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -63.37 -43.99 96.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.143 -0.688 . . . . 1.53 109.143 -178.357 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -53.99 -45.56 71.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.625 -1.171 . . . . 1.77 111.185 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 43.0 mt -68.71 -56.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.257 -0.429 . . . . 1.62 110.413 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 2.6 t80 -48.88 -47.41 43.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.342 -0.845 . . . . 2.59 111.159 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -64.6 -31.84 73.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.983 -0.553 . . . . 2.08 110.93 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.93 -22.33 78.79 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.873 -0.68 . . . . 0.56 112.351 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -96.69 -44.64 7.02 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.675 -0.491 . . . . 1.14 109.675 179.119 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -79.45 79.14 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.461 0.648 . . . . 1.4 109.959 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.66 70.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.033 -0.985 . . . . 1.46 111.463 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.38 -18.87 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.185 0.516 . . . . 3.54 111.034 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 63.98 52.26 2.11 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.985 -1.007 . . . . 3.2 111.817 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -108.48 8.76 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.108 0.48 . . . . 2.13 110.234 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 tt0 64.52 43.21 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.969 -1.014 . . . . 2.02 109.865 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 22.9 mt-30 -138.77 116.65 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.103 -0.953 . . . . 2.47 110.136 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -106.77 107.92 23.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.866 -0.606 . . . . 2.42 110.194 175.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.25 168.22 17.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.072 -0.513 . . . . 2.02 110.406 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.14 -31.15 66.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 2.97 110.934 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.2 tt0 -74.14 -36.33 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.365 0.603 . . . . 2.16 110.69 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -76.28 -29.01 57.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.493 0.663 . . . . 1.99 109.853 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 78' ' ' VAL . 45.3 t80 -70.59 -23.86 62.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.597 -0.729 . . . . 2.55 109.178 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.482 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.77 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.25 -0.886 . . . . 1.31 109.668 175.275 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.605 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 1.6 p -69.3 -24.21 63.91 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.21 -0.45 . . . . 1.27 110.453 174.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 33' ' ' LEU . 8.1 tt -65.68 -41.73 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.425 -0.583 . . . . 1.78 109.425 174.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -64.31 -28.14 44.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 115.71 -0.677 . . . . 1.15 109.445 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -60.75 -51.93 67.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.125 0.488 . . . . 1.1 109.963 174.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.81 -37.63 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.507 -0.769 . . . . 1.09 110.275 175.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' B' ' 8' ' ' LEU . . . -76.27 -34.52 59.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.631 -0.713 . . . . 1.0 112.242 -176.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 97.3 mt -72.02 -34.54 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.447 0.641 . . . . 1.1 109.441 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -68.64 -30.58 69.32 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.268 -0.878 . . . . 2.26 109.976 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 81' ' ' ALA . . . -63.02 -39.5 94.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.998 0.427 . . . . 1.24 110.634 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.431 ' HB1' HG21 ' B' ' 12' ' ' VAL . . . -70.51 -55.39 9.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.747 -0.661 . . . . 1.1 112.162 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 83' ' ' LYS . 18.9 p-80 -86.11 -39.88 16.27 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.989 0.423 . . . . 3.4 111.82 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.544 ' C ' ' H ' ' A' ' 89' ' ' THR . 35.9 t80 -89.82 22.64 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.535 0.734 . . . . 2.64 109.786 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -46.34 20.47 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.238 1.94 . . . . 4.09 116.238 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.544 ' H ' ' C ' ' A' ' 87' ' ' TYR . 9.7 t -87.38 -8.85 56.13 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.368 -0.833 . . . . 1.46 111.259 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.586 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.2 t60 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 111.561 0.208 . . . . 4.28 111.561 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.46 ' CD ' ' HB3' ' A' ' 43' ' ' ASN . 3.9 mp0 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.785 0.802 . . . . 3.1 109.029 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.484 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 38.1 tt0 -60.93 -18.67 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.259 -1.337 . . . . 2.51 111.774 -174.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 79.0 m-70 -66.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.327 -0.62 . . . . 2.85 109.327 175.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 81' ' ' ALA . 41.1 mt -64.89 -59.75 3.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.878 -1.055 . . . . 1.1 111.285 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.13 -21.68 66.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 2.41 110.749 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -69.91 -35.76 72.79 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.89 -0.671 . . . . 0.48 112.166 176.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.9 mm -66.93 -38.41 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.955 0.883 . . . . 1.84 109.549 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.431 HG21 ' HB1' ' A' ' 85' ' ' ALA . 97.2 t -69.34 -41.37 80.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.882 -1.054 . . . . 1.22 111.802 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -80.08 -19.3 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.138 0.421 . . . . 1.95 112.138 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 pt -79.59 -31.81 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 119.978 -0.689 . . . . 2.55 110.137 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -69.11 -43.65 74.01 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 108.571 -0.899 . . . . 3.26 108.571 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -57.9 -32.65 67.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.74 -1.118 . . . . 2.85 110.055 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.675 -0.693 . . . . 3.5 112.304 -173.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' B' ' 68' ' ' GLN . 77.9 mt . . . . . 0 C--O 1.224 -0.268 0 N-CA-C 109.076 -0.712 . . . . 3.39 109.076 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.1 m -103.46 -172.69 2.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.845 0.683 . . . . 1.88 112.845 -170.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.546 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 24.8 ttmt -75.69 -24.81 56.31 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.992 -0.549 . . . . 1.93 111.555 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -58.38 14.88 Favored Glycine 0 N--CA 1.454 -0.117 0 C-N-CA 120.929 -0.653 . . . . 0.46 113.137 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.21 -38.41 91.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.991 0.424 . . . . 2.43 111.178 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.613 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 16.5 tp -55.09 -49.97 70.36 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.145 -0.934 . . . . 1.18 109.421 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.426 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 61.0 tttm -56.17 -46.9 79.16 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.65 -1.159 . . . . 2.4 111.365 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 1.3 mp0 -56.37 -59.95 4.22 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 110.215 -0.291 . . . . 2.62 110.215 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.15 -50.53 37.18 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 123.746 0.654 . . . . 1.11 110.827 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 94.8 mt -60.41 -49.76 76.28 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.042 -0.526 . . . . 1.18 112.344 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' B' ' 42' ' ' ALA . 46.4 p -70.43 -27.86 64.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.062 0.393 . . . . 1.64 112.062 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.3 ptmm? -97.72 -31.32 12.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.58 0.585 . . . . 2.17 112.58 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -101.07 -39.61 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 1.67 111.246 -172.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.52 20.51 18.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.801 -0.444 . . . . 2.07 109.801 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' B' ' 38' ' ' THR . . . -52.84 -30.36 33.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.096 -0.956 . . . . 1.25 112.766 -176.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.446 ' HB3' ' CD ' ' A' ' 5' ' ' GLU . 65.6 t30 -115.92 26.19 10.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.979 0.418 . . . . 2.69 111.371 -173.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -118.87 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.236 0.541 . . . . 1.19 110.358 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 44.4 mt -81.44 132.45 31.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.367 -0.833 . . . . 1.13 109.97 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 1.9 pptp? -54.81 124.28 16.03 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 120.79 0.328 . . . . 2.14 110.67 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 48.84 43.7 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.306 -0.861 . . . . 1.62 111.525 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -62.01 -9.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.939 0.876 . . . . 1.19 110.206 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.466 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.5 OUTLIER -79.3 -13.01 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.9 -1.045 . . . . 1.76 109.95 178.074 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.39 128.02 35.2 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.646 -0.706 . . . . 1.59 111.122 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 21.6 tptp -64.48 -24.9 67.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.804 -1.089 . . . . 1.5 110.629 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -32.86 63.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 1.32 109.503 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.512 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -73.41 -44.39 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.182 -0.917 . . . . 1.23 109.079 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 73.5 mt -64.38 -37.56 80.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.9 -1.046 . . . . 1.1 111.398 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.628 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.3 OUTLIER -63.12 -44.17 96.36 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.27 -0.641 . . . . 1.53 109.27 -178.459 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -53.86 -45.36 70.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.658 -1.156 . . . . 1.77 111.297 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 41.9 mt -68.85 -56.95 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.21 -0.45 . . . . 1.62 110.546 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 2.6 t80 -49.06 -47.26 45.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.343 -0.844 . . . . 2.59 111.113 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.79 -31.49 72.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.021 -0.536 . . . . 2.08 111.064 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.18 -22.34 78.89 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.865 -0.683 . . . . 0.56 112.304 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.2 OUTLIER -96.84 -44.45 7.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.715 -0.476 . . . . 1.14 109.715 179.184 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -79.48 79.02 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.609 0.719 . . . . 1.4 109.96 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.65 70.32 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 1.46 111.467 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -87.58 -18.34 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.171 0.51 . . . . 3.55 111.082 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 63.45 52.79 2.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 114.939 -1.028 . . . . 3.2 111.756 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -109.06 8.76 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.167 0.508 . . . . 2.14 110.243 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.552 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 23.1 tt0 64.99 42.76 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 2.01 109.845 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' B' ' 28' ' ' LEU . 23.1 mt-30 -138.36 116.77 11.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.224 -0.898 . . . . 2.47 110.095 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.6 t -106.73 107.94 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.901 -0.59 . . . . 2.42 110.182 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -70.9 168.1 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 2.02 110.4 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -58.21 -31.14 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.879 0.371 . . . . 2.98 110.967 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.485 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.1 tt0 -74.08 -36.37 64.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.461 0.648 . . . . 2.16 110.719 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.27 -29.14 57.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.501 0.667 . . . . 1.99 109.808 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.561 ' O ' HG23 ' B' ' 78' ' ' VAL . 45.3 t80 -70.51 -23.89 62.73 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.53 -0.759 . . . . 2.55 109.176 171.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.8 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.246 -0.888 . . . . 1.32 109.556 175.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.599 ' O ' ' HB1' ' B' ' 79' ' ' ALA . 1.5 p -69.54 -24.03 63.67 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.121 -0.49 . . . . 1.28 110.323 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.465 HD11 HD11 ' B' ' 33' ' ' LEU . 8.1 tt -65.74 -41.66 91.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.446 -0.576 . . . . 1.78 109.446 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.4 t -64.48 -28.16 44.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 115.625 -0.716 . . . . 1.15 109.36 176.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -60.77 -51.82 67.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.127 0.489 . . . . 1.11 110.043 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.489 HD12 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.81 -37.66 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.472 -0.785 . . . . 1.09 110.267 175.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.484 ' HB2' HD11 ' A' ' 8' ' ' LEU . . . -76.18 -34.58 59.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.692 -0.686 . . . . 1.0 112.265 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 97.4 mt -72.0 -34.53 68.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.433 0.635 . . . . 1.1 109.507 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -68.69 -30.55 69.24 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.151 -0.931 . . . . 2.26 109.953 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.48 94.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.119 0.485 . . . . 1.24 110.66 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.444 ' HB1' HG21 ' A' ' 12' ' ' VAL . . . -70.42 -55.47 8.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.748 -0.66 . . . . 1.1 112.196 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' B' ' 83' ' ' LYS . 18.7 p-80 -86.06 -40.2 15.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.995 0.426 . . . . 3.39 111.779 -174.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.537 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.2 t80 -89.49 22.7 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.511 0.724 . . . . 2.64 109.917 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -46.48 20.54 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.274 1.953 . . . . 4.09 116.274 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.537 ' H ' ' C ' ' B' ' 87' ' ' TYR . 9.0 t -87.4 -8.62 56.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 121.494 -0.754 . . . . 1.47 111.272 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.591 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 18.6 t60 . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 111.608 0.225 . . . . 4.28 111.608 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.536 ' OE1' ' HB2' ' A' ' 7' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 121.297 0.57 . . . . 3.1 110.71 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.65 -27.82 37.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.47 -0.786 . . . . 2.51 111.259 -172.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.536 ' HB2' ' OE1' ' A' ' 5' ' ' GLU . 47.7 m80 -80.02 -50.61 10.13 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.875 -0.417 . . . . 2.85 109.875 -175.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.508 ' CD1' ' HB2' ' B' ' 81' ' ' ALA . 75.0 mt -53.39 -60.82 2.81 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.483 0.659 . . . . 1.1 111.529 176.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -67.37 -22.43 65.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.065 -0.97 . . . . 2.41 110.417 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.584 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -72.03 -39.0 59.49 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.714 -0.676 . . . . 0.48 111.844 175.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 7' ' ' HIS . 80.4 mt -66.65 -44.8 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.726 -0.472 . . . . 1.84 109.726 177.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.446 HG21 ' HB3' ' B' ' 85' ' ' ALA . 39.4 t -50.05 -44.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.592 -0.731 . . . . 1.22 111.026 169.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -63.89 -42.56 97.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 1.95 111.071 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.1 mm -65.66 -36.44 77.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 121.008 0.432 . . . . 2.55 110.534 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -58.49 -32.13 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.944 -0.571 . . . . 3.26 110.317 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -85.62 -20.9 28.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 2.85 110.347 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 24.1 tp60 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 3.5 112.546 -171.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 121.268 0.556 . . . . 3.39 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -97.9 -171.71 2.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.428 -0.351 . . . . 1.87 111.062 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' CD ' ' HE3' ' A' ' 51' ' ' LYS . 24.8 ttmt -65.55 -25.78 67.58 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.77 -0.372 . . . . 1.93 110.679 -176.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -52.43 50.89 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 120.981 -0.628 . . . . 0.47 112.643 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.68 -42.76 81.6 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.105 0.479 . . . . 2.44 111.139 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.531 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 21.0 tp -64.17 -46.04 85.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.483 -0.78 . . . . 1.18 109.956 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 15.4 tptp -52.76 -45.8 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 2.4 110.883 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.656 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 54.8 tt0 -59.02 -60.93 3.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.821 -0.627 . . . . 2.62 110.381 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.91 -45.05 71.05 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.347 0.405 . . . . 1.11 111.384 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.0 mt -66.8 -50.32 63.0 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 112.417 0.525 . . . . 1.18 112.417 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.1 t -64.78 -28.94 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.64 111.322 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.05 -41.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.676 0.621 . . . . 2.17 112.676 -178.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 15.6 mm-40 -91.66 -39.15 12.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 1.67 111.481 -168.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.13 21.31 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.033 0.444 . . . . 2.07 110.04 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.28 -47.05 55.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.811 -1.086 . . . . 1.25 113.226 -172.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -108.68 29.35 7.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.307 0.575 . . . . 2.69 110.68 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.7 m -118.23 -56.24 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 1.19 110.499 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.5 mt -90.33 136.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.854 -0.612 . . . . 1.14 110.137 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.12 125.8 24.32 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.499 -0.319 . . . . 2.14 110.887 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.447 ' C ' ' H ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 49.97 36.51 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 1.62 111.039 174.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.3 tp -63.35 -6.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 122.367 1.08 . . . . 1.19 109.985 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 47' ' ' ASN . 12.6 mmmm -85.4 -12.87 51.04 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.345 -1.298 . . . . 1.76 109.761 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -90.99 129.7 36.98 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.483 -0.78 . . . . 1.58 110.177 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.9 -21.2 66.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.002 -0.545 . . . . 1.51 110.562 176.672 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.87 -35.12 76.51 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.626 0.727 . . . . 1.33 109.129 175.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 25.1 t -81.08 -44.53 20.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.524 -1.216 . . . . 1.23 109.611 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.437 ' CD1' ' HD2' ' A' ' 34' ' ' LYS . 38.9 mt -59.35 -32.48 48.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.448 -0.797 . . . . 1.1 110.582 174.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.03 -46.66 73.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.377 -0.829 . . . . 1.53 109.529 175.202 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 36.3 mm-40 -52.73 -45.23 66.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.14 -0.936 . . . . 1.77 111.061 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.58 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.22 -60.12 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 1.62 110.803 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.432 ' N ' HG21 ' A' ' 57' ' ' ILE . 89.9 t80 -57.7 -44.75 86.08 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.569 -0.741 . . . . 2.59 110.994 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.03 -24.93 63.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 2.08 110.672 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.65 -25.16 76.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.584 -0.817 . . . . 0.56 111.828 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -97.12 -48.12 5.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.122 -0.696 . . . . 1.14 109.122 178.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 47.2 t0 -75.85 76.82 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.923 -1.035 . . . . 1.4 110.194 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.47 -19.18 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.423 -0.808 . . . . 1.46 110.597 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -81.57 -20.66 39.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.248 0.547 . . . . 3.54 110.295 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 62.44 33.81 15.93 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 114.927 -1.033 . . . . 3.2 111.439 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -102.37 2.04 36.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.32 0.581 . . . . 2.13 110.265 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 30.8 tt0 69.67 41.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 2.02 111.04 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -145.16 117.72 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.643 -0.708 . . . . 2.47 109.736 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.412 HG11 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -100.62 120.54 50.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.84 0.829 . . . . 2.42 111.392 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.3 174.1 8.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 2.02 110.587 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.13 -33.95 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 2.97 109.907 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 31.1 tt0 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.4 0.619 . . . . 2.16 110.836 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.526 ' OE1' ' HA ' ' A' ' 62' ' ' ASP . 38.5 mt-10 -71.98 -38.3 69.73 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.616 -0.72 . . . . 1.99 110.12 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 77.2 t80 -63.31 -30.94 71.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 2.55 109.974 171.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.507 HD13 ' HZ3' ' B' ' 83' ' ' LYS . 1.8 mt -63.7 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.537 -0.756 . . . . 1.31 109.12 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' HD12 ' A' ' 80' ' ' ILE . 49.9 m -66.31 -34.06 77.14 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.074 -0.966 . . . . 1.27 110.166 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.503 HD22 ' CG2' ' A' ' 57' ' ' ILE . 1.2 tm? -58.92 -45.42 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.426 -0.583 . . . . 1.78 109.426 175.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.507 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 15.9 t -65.83 -29.64 47.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.182 -0.463 . . . . 1.15 110.0 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.8 -51.1 70.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.054 -0.521 . . . . 1.1 109.975 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.561 HD12 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.11 -35.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.367 -0.833 . . . . 1.09 110.494 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' B' ' 8' ' ' LEU . . . -79.07 -34.52 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.755 -0.657 . . . . 1.0 112.377 -174.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.0 mt -70.33 -37.31 74.67 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.783 -0.821 . . . . 1.1 108.783 172.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.5 ' HZ3' HD13 ' B' ' 75' ' ' ILE . 0.1 OUTLIER -56.34 -37.83 70.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.301 -1.318 . . . . 2.26 109.639 170.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.04 -31.46 66.19 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.208 -0.905 . . . . 1.24 112.578 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.448 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.23 -55.92 4.07 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.764 -0.374 . . . . 1.1 111.679 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -86.63 -44.22 12.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.719 -0.392 . . . . 3.4 111.809 -174.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.518 ' O ' HG21 ' A' ' 89' ' ' THR . 1.8 t80 -90.92 22.13 3.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.908 -0.404 . . . . 2.64 109.908 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -46.35 20.66 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 117.492 2.404 . . . . 4.09 117.492 -173.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.518 HG21 ' O ' ' A' ' 87' ' ' TYR . 2.0 t -62.89 -45.53 92.08 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.21 0.914 . . . . 1.46 112.346 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.5 p80 . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.331 0.586 . . . . 4.28 111.22 175.869 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.529 ' OE1' ' HB2' ' B' ' 7' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 121.481 0.658 . . . . 3.1 110.739 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.8 -27.55 36.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.279 -0.873 . . . . 2.51 111.274 -172.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.529 ' HB2' ' OE1' ' B' ' 5' ' ' GLU . 47.8 m80 -80.12 -50.63 10.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.86 -0.422 . . . . 2.85 109.86 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.519 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 76.4 mt -53.52 -60.85 2.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.414 0.626 . . . . 1.1 111.457 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -67.34 -22.6 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.054 -0.976 . . . . 2.41 110.304 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.581 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -71.85 -39.06 60.16 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.63 -0.714 . . . . 0.48 111.927 174.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.514 HG13 ' O ' ' B' ' 7' ' ' HIS . 80.2 mt -66.64 -44.83 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.81 -0.441 . . . . 1.84 109.81 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 85' ' ' ALA . 39.4 t -50.07 -44.73 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 1.22 110.938 169.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.94 -42.63 97.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.812 -0.631 . . . . 1.95 110.976 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.581 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.3 mm -65.47 -36.48 77.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.108 0.48 . . . . 2.55 110.642 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.77 -31.75 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.577 . . . . 3.26 110.314 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -85.74 -20.9 28.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.72 -0.673 . . . . 2.85 110.298 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' B' ' 14' ' ' ILE . 23.9 tp60 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 3.5 112.635 -171.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.289 0.566 . . . . 3.39 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -97.32 -171.68 2.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.382 -0.372 . . . . 1.88 111.146 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.49 ' CD ' ' HE3' ' B' ' 51' ' ' LYS . 25.0 ttmt -65.85 -25.52 67.24 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.71 -0.396 . . . . 1.93 110.728 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.08 -52.35 51.89 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.901 -0.666 . . . . 0.46 112.684 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.57 -42.87 81.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.163 -0.519 . . . . 2.43 111.146 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 21.1 tp -64.19 -45.82 86.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.436 -0.802 . . . . 1.18 109.948 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' B' ' 54' ' ' ILE . 15.3 tptp -53.01 -45.67 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.378 0.671 . . . . 2.4 110.767 176.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 54.5 tt0 -59.22 -60.94 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 2.62 110.25 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.86 -44.93 70.77 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 123.405 0.441 . . . . 1.11 111.389 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.9 mt -66.98 -50.25 62.87 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 112.415 0.524 . . . . 1.18 112.415 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 13.0 t -64.69 -29.12 70.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 1.64 111.257 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -96.96 -41.75 8.24 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.521 0.563 . . . . 2.17 112.521 -178.449 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.415 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 17.8 mm-40 -91.6 -39.12 12.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 1.67 111.441 -168.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -104.99 20.95 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.035 0.445 . . . . 2.07 110.092 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.23 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.843 -1.071 . . . . 1.25 113.17 -172.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.52 29.43 7.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.454 0.645 . . . . 2.69 110.677 -174.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.1 m -118.18 -56.74 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.023 0.44 . . . . 1.19 110.355 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.8 mt -89.78 136.51 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.935 -0.575 . . . . 1.13 110.103 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 125.95 25.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.488 -0.324 . . . . 2.14 110.924 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.451 ' C ' ' H ' ' B' ' 49' ' ' LYS . 0.9 OUTLIER 49.82 36.51 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.552 -0.749 . . . . 1.62 111.038 174.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.2 tp -63.22 -6.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 122.348 1.07 . . . . 1.19 109.803 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' B' ' 47' ' ' ASN . 12.6 mmmm -85.53 -12.72 51.01 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.342 -1.299 . . . . 1.76 109.63 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.03 129.54 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 1.59 110.093 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -64.75 -21.21 66.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.051 -0.522 . . . . 1.5 110.566 176.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.61 -35.28 77.11 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.59 0.709 . . . . 1.32 109.243 175.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' B' ' 56' ' ' GLU . 25.1 t -81.09 -44.53 20.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.415 -1.266 . . . . 1.23 109.6 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 34' ' ' LYS . 38.9 mt -59.39 -32.2 48.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.408 -0.814 . . . . 1.1 110.625 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -67.33 -46.57 73.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.39 -0.823 . . . . 1.53 109.527 175.178 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 34.7 mm-40 -52.92 -45.43 67.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.181 -0.918 . . . . 1.77 110.916 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.91 -60.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.825 -0.625 . . . . 1.62 110.807 176.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.428 ' N ' HG21 ' B' ' 57' ' ' ILE . 90.1 t80 -57.67 -44.9 86.07 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.682 -0.69 . . . . 2.59 111.009 -172.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.98 -25.0 63.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.042 -0.527 . . . . 2.08 110.644 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.64 -25.34 75.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.772 -0.728 . . . . 0.56 111.841 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -96.87 -48.55 5.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.024 -0.732 . . . . 1.14 109.024 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.517 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 48.5 t0 -75.59 77.24 2.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.046 -0.979 . . . . 1.4 110.182 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -19.22 61.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.392 -0.822 . . . . 1.46 110.47 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -81.58 -20.51 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 3.55 110.271 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 62.35 33.77 16.17 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 114.9 -1.045 . . . . 3.2 111.379 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -102.4 2.08 36.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.302 0.572 . . . . 2.14 110.333 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.418 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 30.8 tt0 69.87 40.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.043 -0.981 . . . . 2.01 111.113 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -144.61 117.67 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.681 -0.691 . . . . 2.47 109.803 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.413 HG11 ' CE1' ' B' ' 58' ' ' PHE . 15.0 m -100.61 120.26 49.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.79 0.805 . . . . 2.42 111.412 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.1 174.13 8.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.11 -0.95 . . . . 2.02 110.536 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -58.16 -33.92 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.87 -0.419 . . . . 2.98 109.87 176.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.472 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 31.1 tt0 -66.84 -41.48 87.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.521 0.677 . . . . 2.16 110.824 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.517 ' OE1' ' HA ' ' B' ' 62' ' ' ASP . 39.0 mt-10 -72.02 -38.4 69.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.698 -0.683 . . . . 1.99 110.199 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 77.3 t80 -63.19 -30.99 72.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.302 0.572 . . . . 2.55 109.95 171.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.5 HD13 ' HZ3' ' A' ' 83' ' ' LYS . 1.8 mt -63.73 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.718 . . . . 1.32 109.22 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.569 ' O ' HD12 ' B' ' 80' ' ' ILE . 50.4 m -66.24 -33.86 76.72 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.118 -0.946 . . . . 1.28 110.221 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.508 HD22 ' CG2' ' B' ' 57' ' ' ILE . 1.2 tm? -59.2 -45.25 91.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.45 -0.574 . . . . 1.78 109.45 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 15.8 t -65.83 -29.74 47.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.208 -0.451 . . . . 1.15 109.955 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.57 -51.2 70.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.164 0.507 . . . . 1.11 110.036 173.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.569 HD12 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.14 -35.4 61.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.35 -0.841 . . . . 1.09 110.439 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.508 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . . . -79.09 -34.49 43.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.726 -0.67 . . . . 1.0 112.378 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 76.5 mt -70.47 -37.17 74.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.805 -0.813 . . . . 1.1 108.805 172.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.507 ' HZ3' HD13 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -56.36 -37.82 70.58 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.38 -1.282 . . . . 2.26 109.711 170.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.76 66.44 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.173 -0.921 . . . . 1.24 112.495 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.446 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -82.99 -56.14 3.97 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.734 -0.387 . . . . 1.1 111.62 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.402 ' HB2' HG12 ' A' ' 12' ' ' VAL . 43.3 t-80 -86.31 -44.3 12.21 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.615 -0.434 . . . . 3.39 111.768 -174.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.516 ' O ' HG21 ' B' ' 89' ' ' THR . 1.8 t80 -90.94 22.32 3.71 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.944 -0.391 . . . . 2.64 109.944 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -46.46 20.76 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 117.488 2.403 . . . . 4.09 117.488 -173.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.516 HG21 ' O ' ' B' ' 87' ' ' TYR . 2.1 t -63.11 -45.61 91.19 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.17 0.896 . . . . 1.47 112.399 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.5 p80 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 121.533 0.682 . . . . 4.28 111.221 175.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.146 0 N-CA-C 112.184 0.439 . . . . 3.1 112.184 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.479 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 14.5 tp10 -45.17 -40.15 6.87 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.321 0.489 . . . . 2.51 112.321 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.479 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.3 m170 -68.63 -63.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.177 -0.327 . . . . 2.85 110.89 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 57.3 mt -68.2 -59.74 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 1.1 111.494 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -71.12 -20.97 62.26 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.489 -0.778 . . . . 2.41 110.125 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -72.13 -33.75 61.95 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.795 -0.716 . . . . 0.48 112.132 174.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.4 mt -70.53 -34.13 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.867 0.841 . . . . 1.84 109.575 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' B' ' 85' ' ' ALA . 70.0 t -72.65 -26.65 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.282 -0.872 . . . . 1.22 109.894 174.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.385 -0.825 . . . . 1.95 110.774 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.8 pt -63.96 -32.98 59.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.182 0.515 . . . . 2.55 110.169 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -57.86 -37.66 74.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.035 -0.984 . . . . 3.26 110.281 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -85.52 -19.85 30.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 2.85 111.568 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 111.732 0.271 . . . . 3.5 111.732 -179.392 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 28' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.224 -0.285 0 N-CA-C 109.772 -0.455 . . . . 3.39 109.772 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 m -102.85 -179.29 3.92 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.524 -0.47 . . . . 1.87 110.573 177.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.2 ttmp? -61.34 -35.51 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.672 0.249 . . . . 1.93 111.672 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.45 -41.18 93.17 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.333 -0.46 . . . . 0.47 112.839 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -68.53 -41.91 79.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.385 0.612 . . . . 2.44 110.454 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.4 tp -64.19 -49.61 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.012 -0.995 . . . . 1.18 109.513 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 51.7 tttm -54.89 -41.52 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.331 -0.849 . . . . 2.4 111.185 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -54.9 -61.76 2.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.183 -0.462 . . . . 2.62 110.252 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -53.96 -46.25 71.58 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.099 0.476 . . . . 1.11 110.945 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -60.31 -51.11 70.9 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.831 -0.622 . . . . 1.18 112.357 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.416 HG23 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -67.58 -27.06 66.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.186 -0.461 . . . . 1.64 112.01 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -37.06 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.944 0.72 . . . . 2.17 112.944 -177.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -96.25 -47.07 6.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.104 0.478 . . . . 1.67 111.119 -172.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' B' ' 8' ' ' LEU . 13.9 mt -100.11 21.54 12.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.777 -0.647 . . . . 2.07 110.022 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.46 -30.82 42.71 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 114.996 -1.002 . . . . 1.25 112.78 -175.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -119.01 21.38 12.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.306 0.574 . . . . 2.69 110.722 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 HG23 ' CD1' ' B' ' 8' ' ' LEU . 20.9 m -111.44 -60.84 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.968 0.413 . . . . 1.19 110.242 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 64.4 mt -85.77 138.89 18.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.501 -0.772 . . . . 1.14 110.006 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -53.29 126.99 22.99 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.336 0.398 . . . . 2.14 110.606 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 49' ' ' LYS . 26.7 m-80 44.05 42.34 4.75 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.831 0.707 . . . . 1.62 111.647 174.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 8.9 tp -62.7 -5.9 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 122.097 0.951 . . . . 1.19 110.697 -178.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -86.0 -11.65 52.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.049 -0.978 . . . . 1.76 109.853 178.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 130.9 34.45 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.449 -0.796 . . . . 1.58 111.186 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.7 tptm -66.13 -27.07 67.75 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.987 -1.006 . . . . 1.51 110.231 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -72.22 -35.17 68.8 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.498 0.666 . . . . 1.33 109.357 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 57' ' ' ILE . 41.4 t -72.61 -43.82 61.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.843 -1.071 . . . . 1.23 109.296 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 51.7 mt -65.21 -35.32 75.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.766 -1.106 . . . . 1.1 110.979 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 17.6 t70 -61.36 -52.61 63.92 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.427 -0.953 . . . . 1.53 108.427 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 27.6 mm-40 -46.85 -47.93 21.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.749 -1.114 . . . . 1.77 111.617 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.487 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.9 mt -68.54 -59.85 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.301 -0.409 . . . . 1.62 111.197 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.49 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 75.7 t80 -55.03 -44.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.724 -0.671 . . . . 2.59 111.166 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -65.79 -28.16 68.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.773 -0.649 . . . . 2.08 110.38 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.86 -25.37 71.9 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.56 112.379 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.38 -39.86 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.446 -0.576 . . . . 1.14 109.446 178.658 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -76.46 67.01 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 1.4 110.001 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.2 60.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 1.46 110.734 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.76 -9.96 59.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 3.54 110.723 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 61.07 43.49 11.23 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.012 -0.994 . . . . 3.2 112.216 172.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.97 -3.9 28.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.292 -0.413 . . . . 2.13 110.601 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 3.9 tp10 65.64 30.79 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.194 -0.912 . . . . 2.02 108.647 -174.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.58 10.11 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.746 -1.116 . . . . 2.47 109.954 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG12 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -96.31 135.05 31.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.451 0.643 . . . . 2.42 110.814 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -96.24 -171.42 2.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 2.02 110.315 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.99 -40.29 97.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 2.97 110.927 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.464 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 46.1 tt0 -77.95 -32.06 51.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 2.16 111.11 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' SER . 3.7 mm-40 -69.05 -34.67 75.55 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.918 -0.771 . . . . 1.99 108.918 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 56.4 t80 -64.77 -29.34 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.398 -0.819 . . . . 2.55 109.872 172.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.525 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.0 OUTLIER -66.67 -37.86 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.585 -0.734 . . . . 1.31 109.289 174.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.558 ' O ' HD11 ' A' ' 80' ' ' ILE . 66.7 m -62.35 -37.31 85.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.474 -0.784 . . . . 1.27 109.942 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.567 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 7.4 tp -54.5 -46.98 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.118 0.485 . . . . 1.78 110.478 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.578 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.8 t -64.52 -30.7 50.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.455 -0.793 . . . . 1.15 109.965 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 76' ' ' SER . . . -60.76 -49.01 79.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.398 0.618 . . . . 1.1 109.937 174.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.558 HD11 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.75 -40.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.06 -0.973 . . . . 1.09 110.4 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -77.41 -33.41 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 1.0 112.326 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.8 mt -69.12 -34.04 74.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.907 -0.775 . . . . 1.1 108.907 173.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.541 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 7.9 mttt -73.67 -19.65 60.77 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.024 -0.989 . . . . 2.26 110.651 174.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 81' ' ' ALA . . . -72.04 -28.15 63.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.472 0.653 . . . . 1.24 109.528 172.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.445 ' HB2' HG22 ' B' ' 12' ' ' VAL . . . -82.84 -56.11 4.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.387 -0.824 . . . . 1.1 111.792 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.449 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 18.5 p80 -85.75 -44.6 12.37 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.48 -0.488 . . . . 3.4 112.129 -175.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.499 ' C ' ' H ' ' A' ' 89' ' ' THR . 6.5 t80 -90.15 21.83 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.952 0.501 . . . . 2.64 109.745 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -48.97 18.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.479 2.029 . . . . 4.09 116.479 -173.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.499 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.8 t -68.58 -41.93 78.97 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.692 0.678 . . . . 1.46 111.276 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.034 0.445 . . . . 4.28 111.35 -179.808 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.138 0 N-CA-C 112.228 0.455 . . . . 3.1 112.228 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.479 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 14.4 tp10 -45.32 -40.17 7.45 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.282 0.475 . . . . 2.51 112.282 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.475 ' O ' HG13 ' B' ' 11' ' ' ILE . 40.4 m170 -68.71 -63.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.968 -0.293 . . . . 2.85 110.851 -177.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.508 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 56.9 mt -68.36 -59.61 3.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.41 0.624 . . . . 1.1 111.487 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.12 -21.08 62.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.433 -0.803 . . . . 2.41 110.112 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -72.04 -33.72 62.25 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.48 112.199 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.3 mt -70.5 -34.1 56.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.883 0.849 . . . . 1.84 109.563 174.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 85' ' ' ALA . 70.9 t -72.88 -26.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.226 -0.897 . . . . 1.22 109.832 174.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 1.95 110.723 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 pt -63.78 -33.04 59.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.234 0.54 . . . . 2.55 110.199 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -57.92 -37.68 74.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.966 -1.015 . . . . 3.26 110.215 174.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -85.36 -19.83 30.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 2.85 111.587 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 . . . . . 0 C--N 1.327 -0.389 0 N-CA-C 111.876 0.325 . . . . 3.5 111.876 -179.47 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.44 HD23 ' N ' ' B' ' 28' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.223 -0.302 0 N-CA-C 109.82 -0.437 . . . . 3.39 109.82 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -102.76 -179.5 3.98 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.504 -0.478 . . . . 1.88 110.575 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.473 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.2 ttmp? -61.15 -35.63 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.723 0.268 . . . . 1.93 111.723 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.2 -41.09 92.62 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.259 -0.496 . . . . 0.46 113.018 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -68.76 -41.85 78.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.352 0.596 . . . . 2.43 110.38 -177.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.632 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 36.5 tp -64.05 -49.79 70.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.078 -0.964 . . . . 1.18 109.445 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 51.6 tttm -54.74 -41.38 70.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 2.4 111.231 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -55.02 -61.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.497 . . . . 2.62 110.261 175.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.409 HD23 ' C ' ' B' ' 36' ' ' LEU . 8.8 tt -53.91 -46.2 71.39 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.467 0.48 . . . . 1.11 110.879 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.2 mt -60.41 -51.1 70.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.881 -0.6 . . . . 1.18 112.276 -176.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.42 HG23 ' HA ' ' B' ' 49' ' ' LYS . 25.4 p -67.46 -27.12 66.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.197 -0.456 . . . . 1.64 112.049 -174.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 -36.7 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.922 0.712 . . . . 2.17 112.922 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -96.35 -47.17 6.11 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.124 0.488 . . . . 1.67 111.121 -172.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 8' ' ' LEU . 14.0 mt -100.13 21.45 12.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.781 -0.645 . . . . 2.07 109.979 -173.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.478 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.35 -31.04 42.62 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.032 -0.986 . . . . 1.25 112.8 -175.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -118.94 21.63 12.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.281 0.562 . . . . 2.69 110.625 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 8' ' ' LEU . 20.8 m -111.65 -60.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 1.19 110.338 -179.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 64.0 mt -85.48 138.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.508 -0.769 . . . . 1.13 110.081 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -53.05 126.76 21.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 123.292 0.37 . . . . 2.14 110.656 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' B' ' 49' ' ' LYS . 27.4 m-80 44.2 42.59 5.18 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.999 0.812 . . . . 1.62 111.687 174.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' B' ' 42' ' ' ALA . 8.9 tp -63.11 -5.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 122.129 0.966 . . . . 1.19 110.662 -177.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' B' ' 47' ' ' ASN . 0.4 OUTLIER -86.03 -11.52 52.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.876 -1.056 . . . . 1.76 109.752 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.76 130.76 34.47 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.509 -0.768 . . . . 1.59 111.134 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -66.11 -26.88 67.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.99 -1.004 . . . . 1.5 110.225 178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -72.63 -34.56 67.4 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.454 0.645 . . . . 1.32 109.413 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.453 ' O ' HG13 ' B' ' 57' ' ' ILE . 41.0 t -73.0 -43.86 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.895 -1.048 . . . . 1.23 109.211 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.443 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 51.5 mt -65.27 -35.4 75.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.624 -1.171 . . . . 1.1 110.924 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.13 -52.81 63.31 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.394 -0.965 . . . . 1.53 108.394 177.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 29.6 mm-40 -46.67 -47.98 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.645 -1.162 . . . . 1.77 111.615 175.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.476 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 65.5 mt -68.54 -59.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.232 -0.44 . . . . 1.62 111.139 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.473 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 76.4 t80 -55.21 -44.7 75.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.652 -0.704 . . . . 2.59 111.119 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -65.85 -28.15 68.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 2.08 110.426 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.85 -25.2 72.37 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.56 112.45 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.76 -39.57 10.68 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.403 -0.591 . . . . 1.14 109.403 178.573 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -76.66 66.86 2.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.687 0.756 . . . . 1.4 109.934 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.42 -23.52 61.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.73 . . . . 1.46 110.658 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -9.41 59.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.612 -0.722 . . . . 3.55 110.725 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 60.62 43.59 12.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.013 -0.994 . . . . 3.2 112.217 172.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.03 -4.0 28.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 2.14 110.646 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.409 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 3.9 tp10 65.91 30.49 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.606 -0.887 . . . . 2.01 108.606 -174.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.4 10.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.736 -1.12 . . . . 2.47 109.984 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' B' ' 58' ' ' PHE . 14.7 m -96.17 134.97 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.4 0.619 . . . . 2.42 110.889 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -95.98 -171.38 2.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.488 -0.778 . . . . 2.02 110.404 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.22 -40.12 96.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.139 0.495 . . . . 2.98 110.851 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.478 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 45.8 tt0 -78.0 -32.31 51.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.032 -0.531 . . . . 2.16 111.104 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.908 -0.775 . . . . 1.99 108.908 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.56 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 56.6 t80 -64.72 -29.33 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 2.55 109.88 172.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.541 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -66.62 -37.91 80.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 1.32 109.276 174.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.55 ' O ' HD11 ' B' ' 80' ' ' ILE . 68.9 m -62.39 -37.35 85.43 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.393 -0.822 . . . . 1.28 109.876 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.56 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 7.4 tp -54.57 -46.8 73.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.025 0.441 . . . . 1.78 110.407 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.575 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 11.0 t -64.62 -30.83 51.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 115.561 -0.745 . . . . 1.15 109.832 -177.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' B' ' 76' ' ' SER . . . -60.7 -49.04 79.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.419 0.628 . . . . 1.11 109.886 174.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.55 HD11 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.81 -40.03 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.11 -0.95 . . . . 1.09 110.357 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.497 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -77.32 -33.59 55.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.889 -0.596 . . . . 1.0 112.286 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.08 -34.06 74.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.722 0.772 . . . . 1.1 108.928 173.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.525 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 7.7 mttt -73.54 -19.81 60.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.967 -1.015 . . . . 2.26 110.63 173.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' B' ' 81' ' ' ALA . . . -71.79 -28.55 63.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.516 0.674 . . . . 1.24 109.55 172.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.455 ' HB2' HG22 ' A' ' 12' ' ' VAL . . . -82.68 -56.1 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.405 -0.816 . . . . 1.1 111.683 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.452 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 17.9 p80 -85.68 -44.56 12.46 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.492 -0.483 . . . . 3.39 112.176 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.497 ' C ' ' H ' ' B' ' 89' ' ' THR . 6.4 t80 -90.11 21.6 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.91 0.484 . . . . 2.64 109.738 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -48.66 18.73 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.677 2.103 . . . . 4.09 116.677 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.497 ' H ' ' C ' ' B' ' 87' ' ' TYR . 3.6 t -68.25 -42.43 79.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 118.709 0.686 . . . . 1.47 111.15 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 96.9 m-70 . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 120.823 0.344 . . . . 4.28 111.427 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.733 0.301 . . . . 3.1 110.854 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.11 -35.97 49.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.406 0.682 . . . . 2.51 112.423 -173.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.495 ' O ' HG13 ' A' ' 11' ' ' ILE . 17.7 m170 -70.13 -62.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.0 -0.437 . . . . 2.85 110.855 -177.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' B' ' 81' ' ' ALA . 37.2 mt -66.59 -58.14 5.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.117 0.484 . . . . 1.1 111.586 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.37 -26.24 67.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.683 -0.689 . . . . 2.41 110.084 -175.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.25 -34.67 54.46 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.202 -0.523 . . . . 0.48 112.633 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 7' ' ' HIS . 83.7 mt -70.32 -37.1 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.853 0.835 . . . . 1.84 109.34 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG23 ' HB1' ' B' ' 85' ' ' ALA . 68.4 t -69.66 -26.64 31.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.288 -0.869 . . . . 1.22 110.116 174.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.42 -41.82 72.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.421 -0.808 . . . . 1.95 110.862 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 26.2 pt -69.85 -31.38 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.57 -0.452 . . . . 2.55 110.677 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -59.31 -48.47 81.51 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.083 -0.71 . . . . 3.26 109.083 170.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -62.81 -23.5 67.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.857 -1.065 . . . . 2.85 110.704 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 6.1 tp-100 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 3.5 111.039 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.382 0.61 . . . . 3.39 112.171 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 p -97.7 -172.05 2.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.906 -1.043 . . . . 1.87 111.526 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.561 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 16.4 ttmt -58.19 -36.75 73.55 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.027 0.38 . . . . 1.93 112.027 -173.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.07 -40.69 91.8 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.011 -0.614 . . . . 0.47 113.134 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.07 -36.72 64.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.123 0.487 . . . . 2.44 110.817 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 30.1 tp -67.51 -44.07 79.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 1.18 108.998 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.3 70.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.874 -1.057 . . . . 2.4 110.484 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.4 tt0 -55.76 -60.11 3.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.76 -0.655 . . . . 2.62 110.193 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 36' ' ' LEU . 7.7 tt -53.23 -46.42 69.11 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.061 0.458 . . . . 1.11 111.07 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 92.1 mt -65.5 -48.22 73.31 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.237 0.458 . . . . 1.18 112.237 -174.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 49' ' ' LYS . 35.9 p -68.14 -28.48 67.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.492 -0.322 . . . . 1.64 111.841 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.2 ptmt -97.08 -35.84 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.654 0.613 . . . . 2.17 112.654 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 5.5 mm-40 -98.07 -38.02 9.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.791 0.329 . . . . 1.67 111.733 -169.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.78 24.14 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.568 -0.53 . . . . 2.07 109.568 -177.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.8 -29.75 29.37 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.059 -0.973 . . . . 1.25 113.341 -173.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.0 31.93 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.144 0.497 . . . . 2.69 111.224 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -118.98 -66.45 1.07 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.332 0.587 . . . . 1.19 110.222 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.509 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 40.1 mt -76.94 132.74 32.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.237 -0.892 . . . . 1.14 109.95 -177.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 126.75 24.09 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.269 0.356 . . . . 2.14 110.732 -178.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 49' ' ' LYS . 4.2 m-20 46.56 42.38 11.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.409 -0.814 . . . . 1.62 111.671 176.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.509 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.0 tp -62.63 -7.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.044 0.926 . . . . 1.19 110.38 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.481 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.7 OUTLIER -84.51 -13.47 51.83 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.944 -1.025 . . . . 1.76 109.97 178.4 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.63 131.41 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.567 -0.742 . . . . 1.58 111.355 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.561 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -64.59 -29.18 70.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.667 -1.151 . . . . 1.51 110.632 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.1 -33.02 73.74 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.636 0.731 . . . . 1.33 109.36 177.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 57' ' ' ILE . 41.6 t -76.82 -47.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.639 -1.164 . . . . 1.23 109.521 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 58.5 mt -60.63 -43.29 94.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.106 -0.952 . . . . 1.1 111.896 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -60.96 -49.95 75.37 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.927 -0.579 . . . . 1.53 109.834 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.29 -46.22 24.81 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.41 -0.814 . . . . 1.77 111.331 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 53' ' ' VAL . 55.6 mt -72.43 -57.47 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.62 111.13 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.413 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 t80 -54.83 -44.84 74.26 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.795 -0.639 . . . . 2.59 111.06 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -63.47 -29.43 70.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.01 -0.541 . . . . 2.08 110.331 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.77 -31.57 76.15 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.796 -0.716 . . . . 0.56 112.623 174.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -89.55 -38.87 13.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.87 -0.418 . . . . 1.14 109.87 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.2 72.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.31 -0.859 . . . . 1.4 110.186 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.01 70.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.947 -1.024 . . . . 1.46 111.468 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -74.27 -16.17 60.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 3.54 110.939 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 64.25 28.15 13.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.21 -0.904 . . . . 3.2 111.61 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -98.69 4.93 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 2.13 109.853 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 62.69 50.51 3.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.981 -1.008 . . . . 2.02 109.53 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -137.91 119.6 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.5 -0.773 . . . . 2.47 110.445 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.88 116.52 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.371 0.605 . . . . 2.42 111.097 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.06 171.63 12.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 2.02 110.572 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -54.73 -43.64 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.437 . . . . 2.97 110.734 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.516 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 30.4 tt0 -69.29 -35.58 76.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.635 0.731 . . . . 2.16 110.629 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -77.0 -29.67 55.56 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.447 -0.797 . . . . 1.99 109.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 78' ' ' VAL . 83.8 t80 -68.38 -29.5 68.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.219 -0.66 . . . . 2.55 109.219 169.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.516 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.5 mt -64.79 -36.95 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.84 . . . . 1.31 108.731 173.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.573 ' O ' HD11 ' A' ' 80' ' ' ILE . 32.2 m -66.71 -36.56 82.77 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.224 -0.898 . . . . 1.27 109.754 174.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.481 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.9 tm? -57.53 -45.14 85.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.705 -0.48 . . . . 1.78 109.705 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 74' ' ' PHE . 11.3 t -66.56 -30.26 49.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-N 116.182 -0.463 . . . . 1.15 109.868 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -61.39 -49.21 77.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.333 0.587 . . . . 1.1 110.114 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.573 HD11 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.08 -36.41 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.387 -0.824 . . . . 1.09 110.271 176.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' B' ' 8' ' ' LEU . . . -77.31 -35.83 54.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.991 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -69.49 -31.98 70.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.849 0.833 . . . . 1.1 109.03 173.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HG2' ' NE2' ' A' ' 86' ' ' HIS . 8.7 mttt -75.25 -20.33 59.26 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.038 -0.983 . . . . 2.26 110.563 173.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 81' ' ' ALA . . . -69.57 -31.76 70.12 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.502 0.668 . . . . 1.24 109.533 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.464 ' HB1' HG23 ' B' ' 12' ' ' VAL . . . -80.01 -57.15 3.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.511 -0.768 . . . . 1.1 111.554 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.581 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 3.2 p80 -82.33 -44.18 16.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.438 -0.505 . . . . 3.4 111.673 -175.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.549 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.0 t80 -88.94 22.6 2.65 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 123.098 0.559 . . . . 2.64 109.812 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -48.54 18.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.798 1.777 . . . . 4.09 115.798 -176.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.549 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.0 t -74.64 -38.95 62.36 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.524 -0.735 . . . . 1.46 110.778 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.0 m80 . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 120.94 0.4 . . . . 4.28 111.556 -179.578 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.749 0.309 . . . . 3.1 110.792 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.66 -35.93 55.98 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.752 -0.658 . . . . 2.51 112.436 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.491 ' O ' HG13 ' B' ' 11' ' ' ILE . 17.7 m170 -70.16 -61.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.114 -0.366 . . . . 2.85 110.876 -177.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 81' ' ' ALA . 36.9 mt -66.73 -57.96 6.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.064 0.459 . . . . 1.1 111.57 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.42 -26.19 67.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.799 -0.637 . . . . 2.41 110.1 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -34.76 53.86 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.16 -0.543 . . . . 0.48 112.654 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.5 mt -70.12 -37.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.842 0.829 . . . . 1.84 109.352 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.464 HG23 ' HB1' ' A' ' 85' ' ' ALA . 69.4 t -69.82 -26.4 30.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.269 -0.878 . . . . 1.22 110.12 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -70.67 -41.53 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.485 -0.78 . . . . 1.95 110.867 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 26.3 pt -70.07 -31.4 47.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 120.564 -0.454 . . . . 2.55 110.664 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.21 -48.5 81.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.147 -0.686 . . . . 3.26 109.147 170.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -62.82 -23.04 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.864 -1.062 . . . . 2.85 110.744 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 6.1 tp-100 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 3.5 111.062 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.456 HD22 ' N ' ' B' ' 28' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.423 0.63 . . . . 3.39 112.168 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -97.34 -172.04 2.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.006 -0.997 . . . . 1.88 111.603 -176.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 16.3 ttmt -58.23 -36.51 73.28 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.102 0.408 . . . . 1.93 112.102 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.42 -40.44 92.14 Favored Glycine 0 C--N 1.329 0.154 0 C-N-CA 120.869 -0.681 . . . . 0.46 113.139 -177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.99 -36.62 64.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.085 0.469 . . . . 2.43 110.913 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 30.2 tp -67.44 -44.19 79.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.909 -0.775 . . . . 1.18 108.909 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.478 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.27 70.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.812 -1.086 . . . . 2.4 110.509 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 33.1 tt0 -55.54 -60.11 3.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.758 -0.655 . . . . 2.62 110.203 175.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.415 HD23 ' C ' ' B' ' 36' ' ' LEU . 7.7 tt -53.35 -46.59 69.58 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.115 0.483 . . . . 1.11 110.923 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 92.7 mt -65.35 -48.23 73.72 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 112.34 0.496 . . . . 1.18 112.34 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.47 HG23 ' HA ' ' B' ' 49' ' ' LYS . 35.7 p -68.09 -28.47 67.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.475 -0.33 . . . . 1.64 111.796 -175.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 17.3 ptmt -97.11 -35.71 10.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.705 0.631 . . . . 2.17 112.705 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.438 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 5.6 mm-40 -98.08 -38.31 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.674 0.273 . . . . 1.67 111.623 -169.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.7 24.25 13.3 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.571 -0.529 . . . . 2.07 109.571 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.63 -30.25 30.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.081 -0.963 . . . . 1.25 113.373 -173.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -121.65 31.94 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.208 0.528 . . . . 2.69 111.153 -173.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.4 m -119.14 -66.32 1.08 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.297 0.57 . . . . 1.19 110.125 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 40.8 mt -76.9 133.05 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.296 -0.865 . . . . 1.13 109.881 -177.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 126.37 22.97 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.168 0.292 . . . . 2.14 110.725 -178.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' B' ' 49' ' ' LYS . 4.1 m-20 46.7 42.36 11.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.995 0.809 . . . . 1.62 111.615 176.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -62.53 -6.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.979 0.895 . . . . 1.19 110.421 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.5 -13.77 50.98 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.965 -1.016 . . . . 1.76 109.962 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.33 130.94 35.0 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.568 -0.742 . . . . 1.59 111.401 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.568 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -64.42 -28.96 70.04 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.724 -1.125 . . . . 1.5 110.72 178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.42 74.62 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.47 0.652 . . . . 1.32 109.341 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.537 ' O ' HG13 ' B' ' 57' ' ' ILE . 41.5 t -76.57 -47.88 28.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.536 -1.211 . . . . 1.23 109.504 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 58.5 mt -60.72 -43.43 95.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 1.1 111.86 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' B' ' 30' ' ' LYS . 16.1 t70 -60.9 -49.79 76.05 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 116.058 -0.519 . . . . 1.53 109.726 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -47.3 -46.5 25.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.355 -0.838 . . . . 1.77 111.287 175.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 53' ' ' VAL . 55.3 mt -72.4 -57.22 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.291 -0.413 . . . . 1.62 111.155 -177.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.95 -44.69 74.56 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.843 -0.617 . . . . 2.59 111.129 -177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -63.59 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.025 -0.534 . . . . 2.08 110.364 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.86 -31.11 74.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.856 -0.688 . . . . 0.56 112.503 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' B' ' 77' ' ' LEU . 0.1 OUTLIER -90.02 -38.8 13.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.083 0.441 . . . . 1.14 109.811 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.4 73.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.922 0.867 . . . . 1.4 110.143 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.02 -31.86 69.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 1.46 111.539 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -74.01 -17.0 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.141 -0.482 . . . . 3.55 110.884 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 64.83 27.97 12.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.304 -0.862 . . . . 3.2 111.542 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -98.74 4.96 47.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 2.14 109.784 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 62.74 50.48 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.944 -1.025 . . . . 2.01 109.596 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -138.08 119.25 14.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 2.47 110.421 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.43 116.47 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 2.42 111.194 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.06 171.68 12.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 2.02 110.648 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -54.75 -43.69 72.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.988 0.423 . . . . 2.98 110.715 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.509 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 30.8 tt0 -69.15 -35.73 76.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.784 0.802 . . . . 2.16 110.583 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.93 -29.71 55.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.325 -0.852 . . . . 1.99 109.879 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.56 ' O ' HG23 ' B' ' 78' ' ' VAL . 83.9 t80 -68.33 -29.66 68.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.18 -0.674 . . . . 2.55 109.18 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.509 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.5 mt -64.59 -37.2 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.679 -0.86 . . . . 1.32 108.679 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.577 ' O ' HD11 ' B' ' 80' ' ' ILE . 35.1 m -66.66 -36.33 82.28 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.191 -0.913 . . . . 1.28 109.848 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.9 tm? -57.65 -45.13 85.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.708 -0.479 . . . . 1.78 109.708 175.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 74' ' ' PHE . 11.5 t -66.65 -30.13 48.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 N-CA-C 109.774 -0.454 . . . . 1.15 109.774 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -61.48 -49.08 78.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 1.11 110.073 175.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.577 HD11 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.16 -36.51 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.382 -0.827 . . . . 1.09 110.295 176.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.493 ' HB2' HD12 ' A' ' 8' ' ' LEU . . . -77.18 -35.92 55.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.986 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.42 -32.04 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.803 0.811 . . . . 1.1 109.015 173.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.577 ' HG2' ' NE2' ' B' ' 86' ' ' HIS . 8.8 mttt -75.37 -20.18 59.12 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.059 -0.973 . . . . 2.26 110.631 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' B' ' 81' ' ' ALA . . . -69.56 -31.85 70.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.262 0.553 . . . . 1.24 109.603 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.462 ' HB1' HG23 ' A' ' 12' ' ' VAL . . . -79.9 -57.12 3.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.587 -0.733 . . . . 1.1 111.501 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.577 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 2.9 p80 -82.22 -44.09 16.8 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.943 -0.473 . . . . 3.39 111.771 -175.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . 0.542 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.5 t80 -89.21 22.56 2.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 123.208 0.603 . . . . 2.64 109.884 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -48.47 18.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.792 1.775 . . . . 4.09 115.792 -177.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.542 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.0 t -75.01 -38.37 61.56 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.39 -0.819 . . . . 1.47 110.913 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 4.28 111.52 -179.736 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.876 0.369 . . . . 6.79 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.5 m -76.86 115.28 16.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 4.76 111.365 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -121.36 7.0 10.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.02 -0.536 . . . . 6.36 109.765 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 14.3 tp 58.77 -103.36 0.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.843 -1.071 . . . . 4.86 111.262 174.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.498 ' HG3' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -128.81 10.45 6.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.022 0.439 . . . . 3.1 111.131 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.439 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 22.8 tt0 -65.13 -19.23 65.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.51 110.471 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.8 -26.0 34.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.302 -0.408 . . . . 2.85 111.111 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.513 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 77.4 mt -82.61 -61.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.924 -0.31 . . . . 1.1 110.643 178.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -67.87 -21.62 65.15 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.433 -0.507 . . . . 2.41 109.834 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.526 ' HA2' ' ND2' ' A' ' 13' ' ' ASN . . . -63.37 -53.86 36.28 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.517 -0.765 . . . . 0.48 112.172 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.14 -36.78 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.089 0.471 . . . . 1.84 110.271 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.4 -50.0 82.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.608 -0.723 . . . . 1.22 112.004 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.526 ' ND2' ' HA2' ' A' ' 10' ' ' GLY . 7.7 p30 -73.26 -23.6 60.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.177 -0.609 . . . . 1.95 110.418 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.3 mt -63.74 -47.32 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 2.55 110.164 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' HD2' ' CD2' ' A' ' 71' ' ' PHE . 28.8 t80 -62.27 -39.68 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.079 0.466 . . . . 3.26 110.0 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -64.55 -26.26 68.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 2.85 111.104 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -86.7 -43.87 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 3.5 111.948 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.469 ' HB2' HD13 ' A' ' 36' ' ' LEU . 95.4 m-85 -86.9 -23.09 25.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.035 0.445 . . . . 6.61 110.491 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.506 ' HA ' ' HB3' ' A' ' 32' ' ' GLU . 19.2 m -114.21 85.11 2.16 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.509 0.671 . . . . 3.15 109.297 175.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.22 -26.32 2.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.222 -0.899 . . . . 4.58 111.154 -172.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -91.83 111.72 23.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.631 -0.428 . . . . 7.92 110.785 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -139.97 -175.8 4.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.909 -0.587 . . . . 9.05 110.827 178.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.17 -129.07 0.94 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.639 -0.791 . . . . 5.75 112.52 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -79.87 -37.4 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.344 0.593 . . . . 8.99 109.628 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -105.8 171.13 7.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.207 -0.906 . . . . 8.34 108.715 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 22' ' ' LYS . 34.3 m-20 -76.06 73.38 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.893 0.378 . . . . 5.62 110.316 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -66.16 -55.23 17.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.486 -0.779 . . . . 4.37 110.594 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.0 mt 53.09 72.3 0.43 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.78 0.8 . . . . 3.39 110.628 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 m -80.42 -171.72 3.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.156 -0.929 . . . . 1.87 112.087 -174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.2 -23.27 66.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 1.93 111.773 -173.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.96 80.7 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.854 -0.689 . . . . 0.47 112.653 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 19' ' ' SER . 9.8 mm-40 -70.12 -39.73 75.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 2.44 110.712 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.7 tp -64.0 -50.15 69.65 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.69 -0.687 . . . . 1.18 110.199 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' A' ' 54' ' ' ILE . 25.8 tptt -51.3 -43.88 61.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 2.4 110.706 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -59.9 -58.56 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 2.62 110.544 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' A' ' 18' ' ' TYR . 9.0 tt -54.26 -45.85 72.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 120.991 0.424 . . . . 1.11 110.732 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.8 mt -63.0 -50.65 69.89 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.613 0.597 . . . . 1.18 112.613 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 t -67.74 -27.67 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.18 -0.208 . . . . 1.64 111.527 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -97.37 -30.5 12.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.199 0.815 . . . . 2.17 113.199 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 26.6 mm-40 -97.17 -49.49 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.427 0.632 . . . . 1.67 110.864 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HG ' HD13 ' B' ' 8' ' ' LEU . 7.8 mp -95.74 18.59 12.74 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.759 -0.655 . . . . 2.07 111.29 -172.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.84 -25.79 21.26 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.323 0.861 . . . . 1.25 113.323 -175.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -109.26 -2.86 17.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 2.69 111.694 -174.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.7 -62.21 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.567 . . . . 1.19 111.053 -170.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 45.4 mt -82.08 138.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.501 -0.772 . . . . 1.14 110.196 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.83 123.05 14.42 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.185 -0.461 . . . . 2.14 109.947 -178.007 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.493 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.7 m120 46.62 43.73 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 1.62 111.74 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.493 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.8 tp -62.43 -4.58 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.927 0.87 . . . . 1.19 110.782 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -80.93 -24.07 38.43 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.402 -0.817 . . . . 1.76 109.581 179.039 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.59 126.99 31.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.715 -1.129 . . . . 1.58 111.087 -176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.38 -25.63 68.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.052 -0.976 . . . . 1.51 110.06 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.37 -36.65 74.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 1.33 109.463 176.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.8 t -72.74 -45.59 56.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.013 -0.994 . . . . 1.23 109.212 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 34' ' ' LYS . 42.6 mt -65.02 -35.0 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.569 -1.196 . . . . 1.1 111.386 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.59 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.9 t70 -62.7 -52.65 62.46 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.814 -0.81 . . . . 1.53 108.814 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 33.2 mm-40 -48.43 -46.45 37.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.524 -1.217 . . . . 1.77 111.616 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 73.5 mt -71.55 -51.65 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 1.62 111.29 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CE1' HG23 ' A' ' 69' ' ' VAL . 78.6 t80 -53.45 -46.97 70.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.916 -0.584 . . . . 2.59 110.325 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 13.7 mm100 -65.89 -27.35 68.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.297 -0.865 . . . . 2.08 110.371 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.79 -26.91 71.77 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.774 -0.648 . . . . 0.56 112.2 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -91.18 -41.54 10.94 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.885 -0.783 . . . . 1.14 108.885 178.331 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -81.2 70.69 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.945 -1.025 . . . . 1.4 110.222 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.19 -16.3 63.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.331 -0.849 . . . . 1.46 109.341 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.74 -20.31 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.705 -1.134 . . . . 3.54 110.201 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 58.64 39.07 24.98 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.162 -0.926 . . . . 3.2 110.393 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -123.35 4.22 9.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 2.13 110.816 -174.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.44 47.69 2.23 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.177 -0.92 . . . . 2.02 110.794 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.36 118.16 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 2.47 111.131 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.458 HG23 ' CE1' ' A' ' 58' ' ' PHE . 34.6 t -107.3 107.43 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.489 0.661 . . . . 2.42 110.473 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.23 174.85 11.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.255 -0.884 . . . . 2.02 109.161 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.425 ' CD2' ' HD2' ' A' ' 15' ' ' PHE . 51.1 m-85 -57.28 -31.09 65.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.392 . . . . 2.97 109.943 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.615 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 63.8 tt0 -72.93 -39.78 65.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.061 0.458 . . . . 2.16 111.311 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -70.87 -30.86 67.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.67 0.748 . . . . 1.99 109.356 176.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.583 ' O ' HG21 ' A' ' 78' ' ' VAL . 74.7 t80 -72.53 -20.63 61.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 2.55 109.581 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.615 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.5 OUTLIER -66.93 -42.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.525 -0.762 . . . . 1.31 109.114 176.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.535 ' O ' HD12 ' A' ' 80' ' ' ILE . 1.4 p -68.79 -27.51 65.95 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.914 -0.584 . . . . 1.27 110.424 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.522 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.7 tm? -61.13 -45.64 93.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.619 -0.511 . . . . 1.78 109.619 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.583 HG21 ' O ' ' A' ' 74' ' ' PHE . 15.9 t -66.44 -26.12 36.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 116.154 -0.475 . . . . 1.15 109.756 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -63.8 -44.9 91.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.243 0.544 . . . . 1.1 110.04 173.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -63.94 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.446 -0.797 . . . . 1.09 110.268 175.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.523 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -76.41 -42.74 43.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.249 -0.887 . . . . 1.0 112.804 -172.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.424 ' HB2' HG12 ' B' ' 75' ' ' ILE . 96.3 mt -64.39 -34.4 78.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 1.1 109.531 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.477 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 3.2 tmtp? -64.58 -44.66 89.96 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.257 -0.883 . . . . 2.26 109.288 174.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -63.91 -20.57 65.95 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.878 -0.601 . . . . 1.24 111.292 175.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.03 -55.56 4.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.707 0.262 . . . . 1.1 111.707 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 88' ' ' HIS . 79.5 t60 -80.21 -46.38 16.39 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.637 0.732 . . . . 3.4 110.763 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.571 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.7 t80 -88.11 25.97 1.48 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.778 -1.101 . . . . 2.64 109.24 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.538 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 38.0 t-80 -45.31 6.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.924 1.69 . . . . 4.09 114.795 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.571 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.9 t -66.38 -44.97 81.65 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.071 -0.714 . . . . 1.46 109.071 172.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 157.76 87.59 0.0 OUTLIER 'General case' 0 C--N 1.34 0.194 0 C-N-CA 125.083 1.353 . . . . 4.28 108.93 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HG3' ' HB3' ' A' ' 83' ' ' LYS . 0.9 OUTLIER -55.45 -34.93 64.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.335 -0.617 . . . . 3.47 109.335 172.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.345 -0.843 . . . . 7.09 110.943 175.49 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.928 0.394 . . . . 6.8 110.709 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 93.2 m -76.87 115.92 17.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.514 . . . . 4.76 111.12 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -121.85 6.82 9.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.018 -0.537 . . . . 6.35 109.752 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.484 ' HG ' ' HG3' ' B' ' 5' ' ' GLU . 14.3 tp 58.91 -103.55 0.18 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 114.918 -1.037 . . . . 4.87 111.185 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.484 ' HG3' ' HG ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -128.72 10.7 6.08 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.033 -0.417 . . . . 3.1 111.103 -179.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 23.7 tt0 -65.25 -19.28 65.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.702 -0.681 . . . . 2.51 110.43 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -81.79 -25.9 34.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 2.85 111.127 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.523 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 77.3 mt -82.74 -61.32 1.91 Allowed 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.915 -0.314 . . . . 1.1 110.497 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.405 ' HG2' ' HB1' ' A' ' 85' ' ' ALA . 28.6 mt-10 -67.81 -21.8 65.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.492 -0.483 . . . . 2.41 109.942 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.516 ' HA2' ' ND2' ' B' ' 13' ' ' ASN . . . -63.14 -54.21 34.46 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.538 -0.755 . . . . 0.48 112.227 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.77 -37.0 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.156 0.503 . . . . 1.84 110.278 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.43 -49.61 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 1.22 112.141 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.516 ' ND2' ' HA2' ' B' ' 10' ' ' GLY . 7.8 p30 -73.71 -23.34 59.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.185 -0.606 . . . . 1.95 110.263 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.8 mt -63.71 -47.4 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 2.55 110.212 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.419 ' HD2' ' CD2' ' B' ' 71' ' ' PHE . 29.1 t80 -62.38 -39.81 94.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 3.26 109.931 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -64.51 -26.08 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.822 -0.626 . . . . 2.85 111.143 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -86.63 -43.91 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 3.5 112.001 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.466 ' HB2' HD13 ' B' ' 36' ' ' LEU . 95.6 m-85 -86.97 -23.11 25.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 6.62 110.457 -175.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.526 ' HA ' ' HB3' ' B' ' 32' ' ' GLU . 19.2 m -114.09 85.21 2.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.562 0.696 . . . . 3.15 109.31 175.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.54 -25.79 3.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.183 -0.917 . . . . 4.57 111.164 -172.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -92.21 111.78 23.47 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.595 -0.442 . . . . 7.92 110.805 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' B' ' 26' ' ' ASP . 0.1 OUTLIER -140.23 -176.04 4.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 9.06 110.796 179.083 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.84 -128.87 0.87 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.763 -0.732 . . . . 5.77 112.606 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -80.48 -37.28 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.415 0.626 . . . . 8.99 109.609 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -105.71 170.82 7.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.175 -0.92 . . . . 8.34 108.798 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.43 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 33.0 m-20 -75.86 73.42 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.03 0.443 . . . . 5.62 110.365 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -66.07 -55.36 16.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.454 -0.794 . . . . 4.38 110.587 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.2 mt 53.38 72.38 0.44 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.754 0.788 . . . . 3.39 110.61 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.5 m -80.56 -171.7 3.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.228 -0.896 . . . . 1.88 112.076 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -62.21 -22.9 66.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 1.93 111.796 -173.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.67 -48.83 82.72 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.827 -0.702 . . . . 0.46 112.707 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.526 ' HB3' ' HA ' ' B' ' 19' ' ' SER . 10.6 mm-40 -70.33 -39.43 74.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.46 . . . . 2.43 110.744 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -64.25 -50.21 68.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.663 -0.699 . . . . 1.18 110.056 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' B' ' 54' ' ' ILE . 25.8 tptt -51.2 -43.78 61.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 2.4 110.83 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -59.91 -58.47 8.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.962 -0.563 . . . . 2.62 110.625 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' B' ' 18' ' ' TYR . 9.0 tt -54.38 -45.77 72.9 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.983 0.42 . . . . 1.11 110.67 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.8 mt -63.12 -50.64 69.67 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.605 0.595 . . . . 1.18 112.605 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 10.8 t -67.55 -28.07 67.48 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.16 -0.216 . . . . 1.64 111.512 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -97.18 -30.45 13.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.152 0.797 . . . . 2.17 113.152 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 26.5 mm-40 -97.02 -49.67 4.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.438 0.637 . . . . 1.67 110.927 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.451 ' HG ' HD13 ' A' ' 8' ' ' LEU . 7.9 mp -95.86 18.63 12.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.748 -0.66 . . . . 2.07 111.202 -172.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.89 -25.69 21.28 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.353 0.871 . . . . 1.25 113.353 -175.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -109.51 -2.2 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.684 0.278 . . . . 2.69 111.682 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.9 -62.64 1.25 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.336 0.588 . . . . 1.19 110.946 -170.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.508 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 45.0 mt -81.79 138.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.516 -0.765 . . . . 1.13 110.169 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.502 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -58.37 123.3 15.67 Favored 'General case' 0 CA--C 1.521 -0.164 0 O-C-N 123.44 0.463 . . . . 2.14 109.915 -177.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.502 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 14.1 m120 46.64 43.75 12.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 123.838 0.711 . . . . 1.62 111.797 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.508 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.8 tp -62.69 -4.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.97 0.891 . . . . 1.19 110.785 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -80.88 -24.35 38.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.304 -0.862 . . . . 1.76 109.486 178.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.37 127.05 31.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 114.763 -1.108 . . . . 1.59 111.091 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -63.45 -25.46 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 1.5 110.123 176.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.43 -36.54 74.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.412 -0.588 . . . . 1.32 109.412 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.45 ' O ' HG13 ' B' ' 57' ' ' ILE . 22.3 t -72.88 -45.35 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 114.935 -1.029 . . . . 1.23 109.168 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' B' ' 34' ' ' LYS . 42.7 mt -65.17 -35.14 74.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.621 -1.172 . . . . 1.1 111.394 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 15.3 t70 -62.8 -52.59 62.59 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.747 -0.835 . . . . 1.53 108.747 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -48.42 -46.18 37.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.553 -1.203 . . . . 1.77 111.746 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 74.2 mt -71.83 -51.75 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 115.902 -0.59 . . . . 1.62 111.203 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.474 ' CE1' HG23 ' B' ' 69' ' ' VAL . 78.9 t80 -53.34 -47.04 69.69 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.902 -0.59 . . . . 2.59 110.356 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 13.3 mm100 -65.63 -27.6 68.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.237 -0.892 . . . . 2.08 110.506 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.16 -27.76 71.34 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.766 -0.652 . . . . 0.56 112.295 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.4 OUTLIER -90.74 -41.5 11.23 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.825 -0.806 . . . . 1.14 108.825 178.683 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.22 70.82 8.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.982 -1.008 . . . . 1.4 110.37 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.3 -15.8 62.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.22 -0.9 . . . . 1.46 109.509 175.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -73.05 -20.29 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.115 . . . . 3.55 110.287 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 58.2 39.99 25.3 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.036 -0.983 . . . . 3.2 110.242 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.28 4.42 8.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 2.14 110.791 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 65.41 47.77 2.23 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.297 -0.865 . . . . 2.01 110.692 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -140.77 118.14 11.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 2.47 111.162 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.474 HG23 ' CE1' ' B' ' 58' ' ' PHE . 34.8 t -107.18 107.32 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.536 0.684 . . . . 2.42 110.581 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -79.13 174.82 11.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.336 -0.847 . . . . 2.02 109.06 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.419 ' CD2' ' HD2' ' B' ' 15' ' ' PHE . 50.7 m-85 -57.17 -31.01 64.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.874 0.369 . . . . 2.98 110.083 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.605 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 63.9 tt0 -73.07 -39.76 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 2.16 111.281 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.3 mm-40 -70.82 -30.9 67.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.608 0.718 . . . . 1.99 109.325 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.579 ' O ' HG21 ' B' ' 78' ' ' VAL . 74.8 t80 -72.51 -20.47 61.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.668 -0.696 . . . . 2.55 109.64 173.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.605 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.5 OUTLIER -67.0 -41.99 88.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.484 -0.78 . . . . 1.32 109.074 176.673 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.525 ' O ' HD12 ' B' ' 80' ' ' ILE . 1.4 p -68.81 -27.46 65.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.94 -0.573 . . . . 1.28 110.483 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.523 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.6 tm? -61.22 -45.67 93.6 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.578 -0.527 . . . . 1.78 109.578 174.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.579 HG21 ' O ' ' B' ' 74' ' ' PHE . 16.2 t -66.42 -26.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.133 -0.485 . . . . 1.15 109.692 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -63.66 -44.97 92.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.347 0.594 . . . . 1.11 110.147 173.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.525 HD12 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -63.98 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 1.09 110.271 175.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.513 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -76.48 -42.72 42.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.297 -0.865 . . . . 1.0 112.793 -172.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.433 ' HB2' HG12 ' A' ' 75' ' ' ILE . 96.3 mt -64.35 -34.49 78.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.388 0.613 . . . . 1.1 109.451 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.473 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 3.3 tmtp? -64.43 -44.71 90.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.334 -0.848 . . . . 2.26 109.36 174.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' B' ' 88' ' ' HIS . . . -64.01 -20.4 65.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.825 -0.625 . . . . 1.24 111.28 175.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -79.98 -55.4 4.99 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.808 0.299 . . . . 1.1 111.808 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.409 ' C ' ' H ' ' B' ' 88' ' ' HIS . 79.3 t60 -80.52 -46.35 15.97 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.496 0.665 . . . . 3.39 110.718 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.57 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.6 t80 -88.11 26.12 1.45 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.757 -1.111 . . . . 2.64 109.194 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' B' ' 84' ' ' ALA . 37.6 t-80 -45.35 6.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.876 1.67 . . . . 4.09 114.72 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.57 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -65.93 -45.2 82.7 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.985 -0.746 . . . . 1.47 108.985 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 157.86 87.42 0.0 OUTLIER 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.987 1.315 . . . . 4.28 108.933 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' B' ' 83' ' ' LYS . 0.9 OUTLIER -55.04 -35.42 64.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.37 -0.604 . . . . 3.47 109.37 172.205 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.246 0.9 0 CA-C-N 115.242 -0.89 . . . . 7.08 110.864 175.556 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG3' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.693 0.283 . . . . 6.79 111.008 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.9 m 61.57 -80.23 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.443 -0.799 . . . . 4.76 113.066 171.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -79.59 -40.43 29.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.673 -0.239 . . . . 6.36 111.598 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.442 HD21 ' H1 ' ' A' ' 1' ' ' MET . 92.6 mt 56.28 -105.03 0.25 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.935 -0.575 . . . . 4.86 111.567 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.544 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 7.9 pt-20 -100.68 16.12 25.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 3.1 111.5 -175.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.74 -34.61 39.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.61 0.719 . . . . 2.51 110.626 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.447 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.8 m80 -79.46 -49.13 12.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.617 -0.72 . . . . 2.85 110.34 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' B' ' 81' ' ' ALA . 78.0 mt -60.84 -60.44 3.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.101 -0.499 . . . . 1.1 111.002 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -71.38 -23.01 61.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 2.41 110.375 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.22 -38.22 96.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.502 -0.856 . . . . 0.48 111.877 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 7' ' ' HIS . 79.3 mt -72.34 -42.56 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.212 0.529 . . . . 1.84 109.891 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.7 t -58.79 -37.25 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.238 -0.892 . . . . 1.22 110.756 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 32.8 t30 -61.9 -46.52 89.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 1.95 110.704 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.9 mm -63.9 -34.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 2.55 110.684 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.449 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 10.2 t80 -57.3 -45.49 84.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.634 0.73 . . . . 3.26 109.413 173.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -68.11 -20.99 64.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.307 -0.86 . . . . 2.85 110.666 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 31.1 mm-40 -84.15 -41.54 16.93 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.717 1.006 . . . . 3.5 113.717 -174.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 12.4 p90 -66.28 -24.48 66.57 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.7 0.63 . . . . 6.61 112.7 -169.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -118.95 131.34 56.02 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.555 -0.458 . . . . 3.15 110.7 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG11 ' H ' ' A' ' 22' ' ' LYS . 46.9 t -62.01 123.41 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 4.58 109.588 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -72.65 -14.2 61.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.286 -0.415 . . . . 7.92 110.959 -174.425 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' H ' HG11 ' A' ' 20' ' ' VAL . 75.3 mmtt -78.49 -9.22 59.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 9.05 110.61 175.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.26 72.4 0.34 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.678 -0.772 . . . . 5.75 112.98 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.41 ' HB2' ' HB ' ' A' ' 20' ' ' VAL . 24.9 t-80 -79.74 -29.22 40.51 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.189 -0.671 . . . . 8.99 109.189 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.457 ' HD2' ' O ' ' A' ' 27' ' ' THR . 15.3 t80 -160.84 151.63 18.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.94 -1.133 . . . . 8.34 107.94 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.75 -0.0 25.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.031 0.443 . . . . 5.62 111.482 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.457 ' O ' ' HD2' ' A' ' 25' ' ' PHE . 23.4 m -156.23 146.15 21.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.518 -0.549 . . . . 4.37 109.518 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.17 73.42 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.906 -0.776 . . . . 3.39 108.906 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 m -97.27 -171.09 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.602 -0.726 . . . . 1.87 112.134 -173.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -55.39 -36.84 66.82 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 112.744 0.646 . . . . 1.93 112.744 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.91 -46.12 94.08 Favored Glycine 0 CA--C 1.512 -0.15 0 C-N-CA 120.701 -0.761 . . . . 0.47 112.733 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.589 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 7.1 mm-40 -65.28 -41.04 94.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.351 0.596 . . . . 2.44 110.462 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 19.0 tp -65.04 -49.94 68.16 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.998 . . . . 1.18 109.682 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 77.6 tttt -52.99 -46.46 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.41 -0.814 . . . . 2.4 110.843 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 26.4 tt0 -52.81 -62.08 1.88 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.73 -0.668 . . . . 2.62 110.182 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.91 -49.52 62.88 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.191 0.52 . . . . 1.11 110.881 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.5 mt -60.58 -51.08 70.92 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.912 0.708 . . . . 1.18 112.912 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.403 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 25.3 p -67.61 -28.21 67.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.093 0.405 . . . . 1.64 112.093 -174.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.2 ptmm? -97.3 -32.41 11.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.887 0.699 . . . . 2.17 112.887 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' OE2' ' HG3' ' B' ' 1' ' ' MET . 41.3 mm-40 -101.3 -46.8 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.91 0.386 . . . . 1.67 111.397 -172.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 mt -102.49 25.23 9.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.258 0.551 . . . . 2.07 109.71 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.98 -27.36 30.97 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.741 -1.118 . . . . 1.25 112.803 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.77 -12.73 16.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.98 0.363 . . . . 2.69 111.98 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.543 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.1 m -95.81 -62.89 1.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.515 0.674 . . . . 1.19 110.915 -166.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 55.7 mt -78.4 135.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.92 -1.037 . . . . 1.14 109.718 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.75 23.3 Favored 'General case' 0 CA--C 1.516 -0.343 0 O-C-N 123.354 0.408 . . . . 2.14 110.287 -176.55 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 49' ' ' LYS . 81.8 m-20 43.54 44.63 5.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.874 0.734 . . . . 1.62 112.004 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 9.1 tp -60.84 -5.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.973 0.892 . . . . 1.19 110.85 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 47' ' ' ASN . 11.4 mmmm -85.51 -15.41 42.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.971 -1.013 . . . . 1.76 109.921 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.0 129.72 35.07 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.24 -0.891 . . . . 1.58 110.922 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.6 -27.03 68.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.984 -1.007 . . . . 1.51 110.269 177.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.48 -38.52 74.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.195 -0.669 . . . . 1.33 109.195 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 57' ' ' ILE . 40.3 t -70.59 -44.06 77.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.679 -1.146 . . . . 1.23 109.147 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 39.4 mt -64.47 -37.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 114.716 -1.129 . . . . 1.1 111.394 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 12.6 t70 -63.78 -51.11 66.28 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.798 -0.816 . . . . 1.53 108.798 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -50.11 -44.56 52.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.935 -1.03 . . . . 1.77 111.668 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 69.5 mt -67.86 -58.02 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.3 -0.409 . . . . 1.62 111.241 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CE1' HG21 ' A' ' 69' ' ' VAL . 91.3 t80 -52.85 -46.38 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 2.59 110.853 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 16.1 mm100 -68.12 -25.17 65.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.571 -0.74 . . . . 2.08 110.617 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.63 -26.43 63.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.043 -0.598 . . . . 0.56 112.264 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -91.44 -41.89 10.6 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.458 -0.571 . . . . 1.14 109.458 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.34 74.77 1.01 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.431 -0.804 . . . . 1.4 110.341 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.41 -16.68 61.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.004 -0.998 . . . . 1.46 110.053 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -74.26 -21.18 59.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.446 -0.797 . . . . 3.54 109.999 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 60.4 27.63 17.23 Favored 'General case' 0 CA--C 1.524 -0.046 0 CA-C-N 114.995 -1.002 . . . . 3.2 111.024 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -114.95 9.38 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 2.13 110.301 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 62.0 51.41 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.262 -0.881 . . . . 2.02 110.523 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.8 116.74 11.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 2.47 111.325 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 58' ' ' PHE . 56.0 t -97.6 115.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 2.42 110.874 175.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -91.64 173.08 8.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.837 -0.801 . . . . 2.02 108.837 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -53.77 -38.46 64.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.427 0.558 . . . . 2.97 110.391 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.624 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 20.7 tt0 -64.21 -43.65 94.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 2.16 111.738 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.6 mm-40 -71.57 -36.06 70.78 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.493 0.663 . . . . 1.99 109.503 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.491 ' O ' HG21 ' A' ' 78' ' ' VAL . 49.8 t80 -64.56 -26.86 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.468 -0.787 . . . . 2.55 109.556 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.727 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.7 OUTLIER -63.26 -40.57 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.195 -0.911 . . . . 1.31 109.398 175.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.521 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 23.6 m -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.409 -0.814 . . . . 1.27 109.876 174.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.483 ' N ' HD21 ' A' ' 61' ' ' LEU . 15.5 tp -57.5 -45.91 84.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.621 0.248 . . . . 1.78 110.697 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 74' ' ' PHE . 10.7 t -63.78 -32.29 56.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.644 -0.502 . . . . 1.15 109.644 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -60.11 -49.33 78.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.444 0.64 . . . . 1.1 109.683 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.458 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -43.63 83.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.124 -0.943 . . . . 1.09 110.422 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.51 ' HB2' ' CD1' ' B' ' 8' ' ' LEU . . . -76.02 -29.43 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.589 -173.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 84.5 mt -72.38 -39.25 68.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.956 0.407 . . . . 1.1 110.103 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.715 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 27.9 mmmt -64.44 -38.1 89.86 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.033 -0.729 . . . . 2.26 109.033 171.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . . . -64.14 -22.25 66.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.392 -0.367 . . . . 1.24 111.414 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.29 -53.46 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.953 0.353 . . . . 1.1 111.953 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.485 ' C ' ' H ' ' A' ' 88' ' ' HIS . 43.6 t-80 -85.9 -44.74 12.15 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.275 0.559 . . . . 3.4 110.742 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.591 ' C ' ' H ' ' A' ' 89' ' ' THR . 12.2 t80 -83.39 22.93 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.235 -0.893 . . . . 2.64 109.283 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.485 ' H ' ' C ' ' A' ' 86' ' ' HIS . 1.1 t60 -47.57 17.93 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.777 2.031 . . . . 4.09 114.911 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.591 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.9 t -87.25 -44.81 11.17 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.175 -0.676 . . . . 1.46 109.175 178.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 p80 168.78 76.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.239 1.016 . . . . 4.28 109.122 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.511 ' HE2' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -59.51 -33.41 71.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.997 -0.547 . . . . 3.47 109.979 178.114 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' O ' ' HE2' ' A' ' 91' ' ' LYS . 42.2 tt0 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 117.923 -1.036 . . . . 7.09 111.786 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.484 ' HG3' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.67 0.271 . . . . 6.8 111.053 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.9 m 61.59 -80.86 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.547 -0.751 . . . . 4.76 112.977 171.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -79.17 -40.15 31.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.595 -0.275 . . . . 6.35 111.602 -172.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.439 HD21 ' H1 ' ' B' ' 1' ' ' MET . 92.9 mt 56.01 -104.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 4.87 111.514 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.543 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 7.9 pt-20 -100.79 16.14 26.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 3.1 111.482 -175.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -51.61 -34.74 38.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 2.51 110.761 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.446 ' O ' HG13 ' B' ' 11' ' ' ILE . 38.7 m80 -79.23 -49.18 12.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.574 -0.739 . . . . 2.85 110.408 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 78.3 mt -61.08 -60.26 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.559 0.537 . . . . 1.1 110.968 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.52 -22.88 61.72 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.904 -0.589 . . . . 2.41 110.457 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.582 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.23 -38.24 96.16 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.674 -0.774 . . . . 0.48 111.739 175.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 7' ' ' HIS . 79.2 mt -72.43 -42.56 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.171 0.51 . . . . 1.84 109.876 177.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.2 t -58.69 -37.33 65.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 1.22 110.818 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.55 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 32.5 t30 -61.74 -46.61 88.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.95 110.662 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -63.97 -34.11 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 2.55 110.609 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.454 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 10.3 t80 -57.43 -45.12 85.02 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.535 0.683 . . . . 3.26 109.461 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.33 -21.09 64.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.322 -0.854 . . . . 2.85 110.686 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 30.9 mm-40 -83.94 -42.09 16.67 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.572 0.953 . . . . 3.5 113.572 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.606 ' CE1' ' HB3' ' B' ' 32' ' ' GLU . 12.4 p90 -65.66 -25.0 67.15 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.716 0.636 . . . . 6.62 112.716 -168.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -118.45 131.59 56.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.463 -0.495 . . . . 3.15 110.588 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.425 HG11 ' H ' ' B' ' 22' ' ' LYS . 46.3 t -62.14 123.48 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 4.57 109.672 173.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.418 ' HD3' ' N ' ' B' ' 21' ' ' ARG . 0.6 OUTLIER -72.54 -14.15 61.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.243 -0.435 . . . . 7.92 111.062 -174.595 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.425 ' H ' HG11 ' B' ' 20' ' ' VAL . 75.2 mmtt -78.53 -9.2 59.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.06 -0.518 . . . . 9.06 110.6 174.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.2 72.29 0.34 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.628 -0.796 . . . . 5.77 112.965 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.413 ' HB2' ' HB ' ' B' ' 20' ' ' VAL . 24.9 t-80 -79.71 -28.57 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.462 0.648 . . . . 8.99 109.316 173.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.452 ' HD2' ' O ' ' B' ' 27' ' ' THR . 15.7 t80 -161.51 151.65 17.25 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 107.74 -1.207 . . . . 8.34 107.74 175.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.09 0.06 26.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.854 0.359 . . . . 5.62 111.3 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.452 ' O ' ' HD2' ' B' ' 25' ' ' PHE . 23.7 m -155.92 146.36 21.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.517 -0.549 . . . . 4.38 109.517 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.31 73.48 7.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.927 -0.768 . . . . 3.39 108.927 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.6 m -97.26 -171.09 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.623 -0.717 . . . . 1.88 112.15 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -55.42 -37.01 67.11 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.737 0.643 . . . . 1.93 112.737 -169.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -46.78 92.52 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.687 -0.768 . . . . 0.46 112.695 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.606 ' HB3' ' CE1' ' B' ' 18' ' ' TYR . 7.3 mm-40 -64.89 -41.17 95.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.394 0.616 . . . . 2.43 110.464 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 19.1 tp -65.0 -49.94 68.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.961 -1.018 . . . . 1.18 109.697 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 77.6 tttt -52.79 -46.66 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 2.4 110.824 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 25.9 tt0 -52.8 -61.9 1.99 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.661 -0.699 . . . . 2.62 110.218 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.1 -49.45 63.57 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.122 0.487 . . . . 1.11 110.861 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.5 mt -60.55 -51.07 71.01 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.888 0.699 . . . . 1.18 112.888 -174.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.409 ' O ' ' HB1' ' B' ' 42' ' ' ALA . 25.2 p -67.71 -28.09 67.37 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.96 0.356 . . . . 1.64 111.96 -174.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.2 ptmm? -97.35 -32.42 11.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.967 0.729 . . . . 2.17 112.967 -177.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.46 ' OE2' ' HG3' ' A' ' 1' ' ' MET . 41.4 mm-40 -101.19 -46.81 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.429 . . . . 1.67 111.409 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 mt -102.4 25.29 9.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.323 0.582 . . . . 2.07 109.709 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.479 ' HA ' HG21 ' B' ' 48' ' ' ILE . . . -54.24 -27.16 32.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.752 -1.113 . . . . 1.25 112.741 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -103.89 -12.7 16.72 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.91 0.337 . . . . 2.69 111.91 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.1 m -95.55 -63.11 1.19 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.52 0.676 . . . . 1.19 110.988 -166.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 56.0 mt -78.48 135.27 26.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.873 -1.058 . . . . 1.13 109.615 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.446 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.76 23.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 123.34 0.4 . . . . 2.14 110.35 -176.581 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' B' ' 49' ' ' LYS . 80.2 m-20 43.64 44.77 5.52 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.996 0.81 . . . . 1.62 111.798 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.479 HG21 ' HA ' ' B' ' 42' ' ' ALA . 9.1 tp -60.91 -5.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.994 0.902 . . . . 1.19 110.763 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' B' ' 47' ' ' ASN . 11.4 mmmm -85.72 -15.5 42.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.98 -1.009 . . . . 1.76 109.777 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.02 129.8 35.07 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.306 -0.861 . . . . 1.59 110.848 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.39 -27.22 69.16 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.954 -1.021 . . . . 1.5 110.239 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.59 74.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.166 -0.679 . . . . 1.32 109.166 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.46 ' O ' HG13 ' B' ' 57' ' ' ILE . 40.7 t -70.34 -44.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.74 -1.118 . . . . 1.23 109.169 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.456 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 39.8 mt -64.41 -37.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.694 -1.139 . . . . 1.1 111.395 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 11.9 t70 -63.94 -51.02 66.37 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.711 -0.848 . . . . 1.53 108.711 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -50.1 -44.7 52.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.878 -1.055 . . . . 1.77 111.655 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 69.8 mt -67.78 -58.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 1.62 111.17 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' B' ' 69' ' ' VAL . 91.2 t80 -52.67 -46.51 67.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 2.59 110.799 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.6 mm100 -68.14 -24.69 65.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 2.08 110.734 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.59 -25.41 63.06 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.978 -0.629 . . . . 0.56 112.274 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.586 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -92.11 -41.55 10.42 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.518 -0.549 . . . . 1.14 109.518 179.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.62 75.27 1.09 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.93 0.871 . . . . 1.4 110.381 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.8 -16.72 61.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.919 -1.037 . . . . 1.46 110.117 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.01 -21.3 60.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.341 -0.845 . . . . 3.55 110.032 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 60.4 27.42 17.01 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 114.965 -1.016 . . . . 3.2 110.985 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -114.78 9.67 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 2.14 110.36 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 61.95 51.03 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.376 -0.829 . . . . 2.01 110.66 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.48 117.21 11.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 2.47 111.146 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.433 HG21 ' CE1' ' B' ' 58' ' ' PHE . 55.4 t -97.88 115.74 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.853 -0.612 . . . . 2.42 110.99 175.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.77 172.95 8.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.774 -0.824 . . . . 2.02 108.774 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -53.56 -38.49 63.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.396 0.543 . . . . 2.98 110.358 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.621 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 20.4 tt0 -64.24 -43.53 94.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.952 -0.567 . . . . 2.16 111.747 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.6 mm-40 -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.499 0.666 . . . . 1.99 109.519 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.491 ' O ' HG21 ' B' ' 78' ' ' VAL . 49.9 t80 -64.69 -26.54 68.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.509 -0.769 . . . . 2.55 109.587 173.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.715 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -63.61 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.155 -0.93 . . . . 1.32 109.259 175.793 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.519 ' O ' ' HB1' ' B' ' 79' ' ' ALA . 23.3 m -59.83 -39.92 86.74 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.446 -0.797 . . . . 1.28 109.846 174.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.481 ' N ' HD21 ' B' ' 61' ' ' LEU . 15.6 tp -57.55 -46.03 84.39 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.714 0.293 . . . . 1.78 110.738 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.491 HG21 ' O ' ' B' ' 74' ' ' PHE . 10.6 t -63.54 -32.43 56.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.655 -0.498 . . . . 1.15 109.655 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -59.82 -49.74 76.51 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.522 0.677 . . . . 1.11 109.727 174.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.457 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.27 -43.78 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.012 -0.995 . . . . 1.09 110.455 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . . . -75.88 -29.46 58.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.408 -0.814 . . . . 1.0 112.645 -173.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 84.4 mt -72.5 -39.18 67.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.932 0.396 . . . . 1.1 110.155 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.727 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 27.8 mmmt -64.43 -38.07 89.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.999 -0.741 . . . . 2.26 108.999 170.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . . . -64.23 -22.28 66.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.366 -0.379 . . . . 1.24 111.453 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.28 -53.83 6.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.833 0.309 . . . . 1.1 111.833 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.472 ' C ' ' H ' ' B' ' 88' ' ' HIS . 43.1 t-80 -85.7 -44.4 12.58 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.26 0.552 . . . . 3.39 110.772 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.604 ' C ' ' H ' ' B' ' 89' ' ' THR . 12.1 t80 -83.56 22.78 1.02 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.216 -0.902 . . . . 2.64 109.327 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.472 ' H ' ' C ' ' B' ' 86' ' ' HIS . 1.1 t60 -47.56 18.08 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.752 2.021 . . . . 4.09 114.917 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.604 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.2 t -87.33 -44.76 11.16 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.228 -0.656 . . . . 1.47 109.228 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 p80 168.76 76.25 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 124.342 1.057 . . . . 4.28 109.152 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.483 ' HE2' ' O ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -59.67 -33.46 71.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.03 -0.532 . . . . 3.47 109.912 178.187 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.483 ' O ' ' HE2' ' B' ' 91' ' ' LYS . 42.5 tt0 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 117.881 -1.057 . . . . 7.08 111.971 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.025 -0.361 . . . . 6.79 110.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m 62.74 -82.97 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.606 0.762 . . . . 4.76 112.375 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.508 ' HB2' ' HZ2' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -121.83 4.14 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.309 0.576 . . . . 6.36 109.962 -177.47 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt 57.55 -145.76 0.58 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.398 -0.819 . . . . 4.86 111.356 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -83.62 -3.15 57.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.476 -0.14 . . . . 3.1 110.978 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 11.1 tp10 -53.84 -28.54 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.521 0.513 . . . . 2.51 112.326 -174.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.412 ' HD2' ' H ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -72.63 -42.76 64.07 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.193 -0.603 . . . . 2.85 111.878 178.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' CD1' HD21 ' B' ' 41' ' ' LEU . 97.6 mt -81.01 -58.1 3.23 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.486 0.66 . . . . 1.1 110.008 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.26 -26.66 65.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.971 -1.013 . . . . 2.41 110.006 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -68.86 -44.65 67.8 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.48 111.684 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.479 HG23 HG22 ' A' ' 78' ' ' VAL . 5.4 mm -54.53 -47.93 70.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.523 0.678 . . . . 1.84 109.941 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.11 -40.94 89.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 1.22 111.516 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -73.94 -27.83 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 1.95 111.0 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 10' ' ' GLY . 51.1 mt -74.73 -35.35 36.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 120.818 0.342 . . . . 2.55 110.746 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.629 -0.878 . . . . 3.26 108.629 172.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -67.14 -21.64 65.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.051 -0.977 . . . . 2.85 111.022 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 57.8 tp60 -68.38 -49.66 58.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.507 -0.315 . . . . 3.5 110.777 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 35' ' ' GLN . 63.1 t80 -86.85 -46.04 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.946 -0.702 . . . . 6.61 111.174 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 t -72.89 134.98 45.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 3.15 110.363 -177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -88.2 134.23 28.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.059 -0.519 . . . . 4.58 110.593 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -75.1 84.2 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.297 0.57 . . . . 7.92 110.2 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -83.22 -56.52 3.73 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.144 -0.687 . . . . 9.05 109.144 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.73 -105.47 0.46 Allowed Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.834 -0.621 . . . . 5.75 111.971 176.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -125.46 -70.87 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.744 0.306 . . . . 8.99 110.466 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -129.72 56.32 1.73 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.139 0.495 . . . . 8.34 110.118 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.72 -55.75 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.674 -0.694 . . . . 5.62 110.552 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 m -134.64 -77.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.401 -0.363 . . . . 4.37 110.961 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt 55.2 68.54 0.85 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.472 0.483 . . . . 3.39 110.722 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -101.23 -172.75 2.22 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.496 0.554 . . . . 1.87 112.496 -172.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.06 -29.16 70.11 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.564 -0.289 . . . . 1.93 111.144 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.4 -46.83 86.5 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.263 -0.494 . . . . 0.47 113.075 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.411 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 6.3 mm-40 -64.26 -46.07 85.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.334 0.588 . . . . 2.44 110.33 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.542 ' HG ' ' CD1' ' A' ' 37' ' ' LEU . 33.0 tp -64.55 -42.42 95.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.069 -0.969 . . . . 1.18 110.44 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 81.1 tttt -55.44 -46.61 76.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.511 . . . . 2.4 110.738 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.6 mp0 -59.68 -57.56 12.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 2.62 110.529 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.46 -46.48 63.08 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 121.187 0.518 . . . . 1.11 110.67 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.542 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 96.0 mt -65.43 -48.73 71.74 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 112.096 0.406 . . . . 1.18 112.096 -176.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -66.93 -30.84 71.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.799 0.333 . . . . 1.64 111.823 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.1 OUTLIER -97.43 -33.11 11.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.919 0.711 . . . . 2.17 112.919 -177.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.65 -32.55 11.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.1 -0.24 . . . . 1.67 111.539 -170.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' B' ' 8' ' ' LEU . 18.5 mt -120.2 25.51 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.153 0.502 . . . . 2.07 109.872 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -49.77 -42.41 46.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.822 -1.081 . . . . 1.25 113.317 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -105.82 14.04 28.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.841 0.353 . . . . 2.69 111.423 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.47 -58.4 1.88 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.478 0.656 . . . . 1.19 110.104 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.0 mt -86.15 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.946 -1.024 . . . . 1.14 109.947 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.72 124.37 18.88 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 110.187 -0.301 . . . . 2.14 110.187 -178.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.511 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.0 m120 45.63 43.98 9.81 Favored 'General case' 0 CA--C 1.519 -0.227 0 O-C-N 123.815 0.697 . . . . 1.62 111.945 176.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -64.1 -6.4 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.038 0.923 . . . . 1.19 110.581 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.6 OUTLIER -84.16 -10.84 57.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.936 -1.029 . . . . 1.76 109.932 178.562 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.41 127.98 37.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.171 -0.922 . . . . 1.58 110.685 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -23.82 65.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.562 -0.745 . . . . 1.51 110.457 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -35.31 76.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.124 -0.695 . . . . 1.33 109.124 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.87 -46.46 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.638 -1.165 . . . . 1.23 109.385 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.419 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 34.8 mt -60.71 -41.04 86.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.871 -1.058 . . . . 1.1 111.44 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.5 t70 -63.64 -51.78 63.65 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.965 -0.562 . . . . 1.53 109.57 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -47.46 -45.48 25.99 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.952 0.782 . . . . 1.77 111.516 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.1 mt -73.97 -52.83 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.382 -0.372 . . . . 1.62 111.367 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -53.49 -44.54 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 2.59 110.664 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 15.9 mm100 -70.45 -24.65 62.93 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.179 -0.918 . . . . 2.08 110.45 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -25.29 75.57 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.56 111.688 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -91.45 -44.29 9.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.339 -0.615 . . . . 1.14 109.339 177.105 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.82 73.98 0.59 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.205 -0.907 . . . . 1.4 110.29 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -23.37 60.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.102 -0.954 . . . . 1.46 110.519 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.85 -17.72 57.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 3.54 110.512 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 60.9 34.12 19.66 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 114.968 -1.015 . . . . 3.2 111.565 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -98.12 -4.65 35.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.694 0.759 . . . . 2.13 109.385 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 68.48 49.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.184 -1.371 . . . . 2.02 110.27 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -145.89 143.75 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.447 -0.797 . . . . 2.47 109.899 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -106.26 108.3 24.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.575 0.702 . . . . 2.42 111.294 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.7 167.16 9.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.653 -0.703 . . . . 2.02 109.603 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -59.46 -36.51 76.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.163 -0.68 . . . . 2.97 109.163 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.612 ' HB2' ' HZ2' ' B' ' 83' ' ' LYS . 32.0 tt0 -65.62 -42.31 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.393 -0.821 . . . . 2.16 111.069 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.3 mt-10 -72.92 -29.98 63.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.262 0.553 . . . . 1.99 110.09 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.555 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 83.8 t80 -73.06 -21.37 60.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.69 0.757 . . . . 2.55 109.607 172.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.548 HD12 ' HG2' ' B' ' 83' ' ' LYS . 1.6 mt -72.14 -41.84 67.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.154 -0.93 . . . . 1.31 109.895 177.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.514 ' O ' HD11 ' A' ' 80' ' ' ILE . 2.4 p -67.6 -28.84 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.126 -0.488 . . . . 1.27 110.031 172.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.555 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.4 tm? -57.64 -48.67 78.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 1.78 110.394 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.479 HG22 HG23 ' A' ' 11' ' ' ILE . 26.3 t -66.18 -32.41 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.996 -0.547 . . . . 1.15 110.105 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' CG2' ' B' ' 75' ' ' ILE . . . -61.43 -43.33 99.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 1.1 110.082 174.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -59.77 -44.79 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.426 -0.807 . . . . 1.09 110.516 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -71.68 -29.29 64.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.345 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 74.8 mt -67.84 -32.66 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.069 0.462 . . . . 1.1 110.027 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.635 ' HZ2' ' HB2' ' B' ' 72' ' ' GLN . 0.1 OUTLIER -66.23 -41.34 90.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.058 -0.519 . . . . 2.26 109.685 173.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . . . -66.86 -21.42 66.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.355 -0.838 . . . . 1.24 111.065 175.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.35 -52.71 6.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.433 -0.349 . . . . 1.1 111.699 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.407 ' C ' ' H ' ' A' ' 88' ' ' HIS . 2.1 t-160 -84.79 -54.33 4.76 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.441 0.639 . . . . 3.4 110.93 -175.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.527 ' C ' ' H ' ' A' ' 89' ' ' THR . 2.6 t80 -88.09 24.83 1.73 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.157 -0.929 . . . . 2.64 109.312 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 86' ' ' HIS . 5.6 p-80 -45.54 19.26 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 116.769 2.137 . . . . 4.09 116.769 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.527 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.9 t -76.01 -44.92 37.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 118.756 0.707 . . . . 1.46 109.296 174.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 168.9 81.53 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 123.546 0.738 . . . . 4.28 110.144 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HE2' HG23 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -64.55 -23.43 67.27 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.453 -0.573 . . . . 3.47 109.453 171.137 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.386 -0.825 . . . . 7.09 110.854 177.654 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.161 -0.311 . . . . 6.8 110.161 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m 63.42 -83.4 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.441 0.696 . . . . 4.76 112.232 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.504 ' HZ2' ' HB2' ' B' ' 3' ' ' LYS . 0.2 OUTLIER -121.78 4.07 10.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.341 0.591 . . . . 6.35 109.918 -177.402 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 82.5 mt 57.72 -146.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.47 -0.786 . . . . 4.87 111.317 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.25 -2.79 56.47 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.498 -0.126 . . . . 3.1 111.111 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.478 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 10.8 tp10 -54.21 -28.35 40.41 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.495 0.497 . . . . 2.51 112.264 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.402 ' HD2' ' H ' ' B' ' 8' ' ' LEU . 0.3 OUTLIER -72.72 -42.82 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.278 -0.569 . . . . 2.85 111.786 178.277 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.433 ' CD1' HD21 ' A' ' 41' ' ' LEU . 97.7 mt -81.01 -58.04 3.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.565 0.697 . . . . 1.1 110.086 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.16 -26.74 65.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.75 -1.114 . . . . 2.41 109.999 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -68.92 -44.47 68.15 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.722 -0.672 . . . . 0.48 111.853 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.481 HG23 HG22 ' B' ' 78' ' ' VAL . 5.5 mm -54.65 -47.76 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.488 0.661 . . . . 1.84 109.967 173.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.27 -41.14 90.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.837 -1.074 . . . . 1.22 111.469 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -73.73 -27.71 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 1.95 111.134 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 10' ' ' GLY . 51.5 mt -74.88 -35.4 35.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 120.915 0.388 . . . . 2.55 110.768 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -62.97 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.661 -0.866 . . . . 3.26 108.661 172.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -67.26 -21.71 65.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.007 -0.997 . . . . 2.85 111.029 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 56.3 tp60 -68.19 -49.81 58.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.462 -0.336 . . . . 3.5 110.676 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.424 ' CZ ' ' HG2' ' B' ' 35' ' ' GLN . 63.1 t80 -86.89 -45.72 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.812 -0.755 . . . . 6.62 111.201 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.5 t -72.77 135.45 45.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.431 . . . . 3.15 110.326 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -88.69 134.18 28.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.133 -0.485 . . . . 4.57 110.42 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -75.0 84.39 2.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.227 0.537 . . . . 7.92 110.103 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -83.22 -56.45 3.76 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.178 -0.675 . . . . 9.06 109.178 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.99 -105.27 0.44 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.845 -0.616 . . . . 5.77 111.961 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -125.51 -71.21 0.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.667 0.27 . . . . 8.99 110.471 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -129.58 56.52 1.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 8.34 110.091 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.53 -55.35 15.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.58 -0.736 . . . . 5.62 110.685 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.9 m -135.16 -77.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.328 -0.396 . . . . 4.38 110.931 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.6 mt 55.22 68.59 0.84 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.37 0.419 . . . . 3.39 110.7 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -101.2 -172.72 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.485 0.55 . . . . 1.88 112.485 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.99 -29.25 70.13 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.389 0.276 . . . . 1.93 111.037 -176.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.46 -46.82 86.95 Favored Glycine 0 CA--C 1.517 0.179 0 C-N-CA 121.259 -0.496 . . . . 0.46 113.008 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.408 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 6.1 mm-40 -64.21 -46.03 85.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.582 . . . . 2.43 110.294 -178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.545 ' HG ' ' CD1' ' B' ' 37' ' ' LEU . 33.0 tp -64.54 -42.56 95.65 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.009 -0.996 . . . . 1.18 110.424 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.426 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 81.3 tttt -55.34 -46.54 76.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.014 -0.539 . . . . 2.4 110.833 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.6 mp0 -59.76 -57.46 12.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.43 . . . . 2.62 110.54 175.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.63 -46.6 63.72 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.561 0.538 . . . . 1.11 110.585 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.545 ' CD1' ' HG ' ' B' ' 33' ' ' LEU . 96.0 mt -65.09 -49.11 71.28 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.032 0.382 . . . . 1.18 112.032 -176.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.469 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.1 p -66.59 -30.98 71.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.386 -0.37 . . . . 1.64 111.841 -175.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.1 OUTLIER -97.37 -33.24 11.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.861 0.689 . . . . 2.17 112.861 -177.191 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.44 -32.96 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.578 0.228 . . . . 1.67 111.462 -170.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 8' ' ' LEU . 18.4 mt -119.91 25.49 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 2.07 109.854 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.478 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -49.6 -42.65 45.18 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.803 -1.09 . . . . 1.25 113.221 -175.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -105.56 13.44 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.843 0.354 . . . . 2.69 111.528 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.05 -58.3 1.9 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.717 0.77 . . . . 1.19 110.185 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.555 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.0 mt -86.26 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 114.862 -1.063 . . . . 1.13 109.923 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.512 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -57.6 124.5 19.28 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 110.124 -0.325 . . . . 2.14 110.124 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.512 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.4 m120 45.2 44.15 8.53 Favored 'General case' 0 CA--C 1.519 -0.248 0 O-C-N 123.821 0.701 . . . . 1.62 111.963 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.555 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.5 tp -63.94 -6.31 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.957 0.884 . . . . 1.19 110.568 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.6 OUTLIER -84.18 -11.07 57.17 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.012 -0.995 . . . . 1.76 109.909 178.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.28 128.08 36.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.17 -0.923 . . . . 1.59 110.535 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -23.93 65.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.598 -0.728 . . . . 1.5 110.447 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.9 75.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.108 -0.701 . . . . 1.32 109.108 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.09 -46.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.701 -1.136 . . . . 1.23 109.4 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 34.7 mt -60.83 -41.04 87.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.867 -1.061 . . . . 1.1 111.457 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 24.2 t70 -63.64 -51.68 64.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.474 -0.565 . . . . 1.53 109.474 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -47.41 -45.52 25.51 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.575 -0.739 . . . . 1.77 111.607 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.46 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 93.3 mt -74.05 -52.78 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.405 -0.362 . . . . 1.62 111.332 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -53.58 -44.35 69.29 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.899 -0.591 . . . . 2.59 110.709 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.8 mm100 -70.58 -24.77 62.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.117 -0.947 . . . . 2.08 110.309 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.21 -25.0 75.81 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.965 -0.636 . . . . 0.56 111.751 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -91.66 -44.33 9.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.329 -0.619 . . . . 1.14 109.329 176.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 22.1 t70 -70.61 73.97 0.55 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.241 -0.89 . . . . 1.4 110.38 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.74 -23.66 60.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.116 -0.947 . . . . 1.46 110.464 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -77.87 -17.52 57.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.341 -0.845 . . . . 3.55 110.478 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 74.2 mt-30 60.65 34.38 20.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 114.954 -1.021 . . . . 3.2 111.547 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.17 -4.89 34.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.629 0.728 . . . . 2.14 109.15 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 68.66 49.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.303 -1.317 . . . . 2.01 110.257 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -145.89 144.02 29.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.463 -0.79 . . . . 2.47 109.784 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -106.6 108.2 24.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.607 0.718 . . . . 2.42 111.243 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.76 167.09 9.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.651 -0.704 . . . . 2.02 109.598 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.47 -36.24 75.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.188 -0.671 . . . . 2.98 109.188 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.635 ' HB2' ' HZ2' ' A' ' 83' ' ' LYS . 32.4 tt0 -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.418 -0.81 . . . . 2.16 111.077 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.9 mt-10 -72.96 -29.95 63.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.238 0.542 . . . . 1.99 110.038 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.551 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 84.1 t80 -73.12 -21.31 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.646 0.736 . . . . 2.55 109.623 172.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.528 HD12 ' HG2' ' A' ' 83' ' ' LYS . 1.6 mt -72.13 -41.84 67.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.231 -0.895 . . . . 1.32 109.866 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.498 ' O ' HD11 ' B' ' 80' ' ' ILE . 2.3 p -67.74 -28.82 67.97 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.062 -0.517 . . . . 1.28 110.005 172.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.4 tm? -57.6 -48.54 79.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 1.78 110.378 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.481 HG22 HG23 ' B' ' 11' ' ' ILE . 26.4 t -66.31 -32.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.052 -0.522 . . . . 1.15 109.988 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.448 ' HB3' ' CG2' ' A' ' 75' ' ' ILE . . . -61.32 -43.33 99.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.28 0.562 . . . . 1.11 110.135 174.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.498 HD11 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -59.92 -44.77 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.436 -0.802 . . . . 1.09 110.432 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.422 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -71.63 -29.38 64.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.637 -0.711 . . . . 1.0 111.341 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 74.5 mt -67.89 -32.46 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 1.1 109.989 173.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.612 ' HZ2' ' HB2' ' A' ' 72' ' ' GLN . 0.2 OUTLIER -66.45 -41.37 89.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.04 -0.527 . . . . 2.26 109.704 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . . . -66.72 -21.31 66.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.334 -0.848 . . . . 1.24 111.178 175.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.43 -52.72 6.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.33 -0.396 . . . . 1.1 111.787 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.418 ' C ' ' H ' ' B' ' 88' ' ' HIS . 2.1 t-160 -84.85 -54.29 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 3.39 110.879 -175.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.526 ' C ' ' H ' ' B' ' 89' ' ' THR . 2.5 t80 -88.21 24.84 1.76 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.173 -0.921 . . . . 2.64 109.366 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.418 ' H ' ' C ' ' B' ' 86' ' ' HIS . 5.6 p-80 -45.6 19.54 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.729 2.122 . . . . 4.09 116.729 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 87' ' ' TYR . 3.9 t -76.1 -44.78 37.09 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.781 0.719 . . . . 1.47 109.376 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 168.74 82.14 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 123.559 0.744 . . . . 4.28 109.959 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.458 ' HE2' HG23 ' B' ' 80' ' ' ILE . 0.6 OUTLIER -65.07 -23.73 67.26 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.316 -0.624 . . . . 3.47 109.316 171.307 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--O 1.247 0.95 0 CA-C-N 115.345 -0.843 . . . . 7.08 110.877 177.646 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 111.807 0.299 . . . . 6.79 111.807 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.2 p -85.45 -152.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.437 -0.164 . . . . 4.76 110.99 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -88.5 -24.84 22.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.011 0.434 . . . . 6.36 110.409 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp 67.15 21.36 10.09 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.424 -0.807 . . . . 4.86 112.22 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -15.59 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.451 0.643 . . . . 3.1 110.298 173.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.489 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 20.9 tt0 -53.94 -22.79 11.01 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.121 -0.945 . . . . 2.51 111.254 173.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.617 ' O ' HG13 ' A' ' 11' ' ' ILE . 33.0 m-70 -71.03 -47.68 57.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 122.222 -0.299 . . . . 2.85 110.945 -177.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD13 ' HB1' ' B' ' 81' ' ' ALA . 69.6 mt -73.19 -62.37 1.49 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.602 0.239 . . . . 1.1 111.339 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 8' ' ' LEU . 2.1 mp0 -63.04 -24.67 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 2.41 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.628 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -70.02 -43.76 63.79 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.753 -0.658 . . . . 0.48 112.433 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 7' ' ' HIS . 77.3 mt -65.03 -38.88 83.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.357 0.598 . . . . 1.84 109.522 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.0 -38.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.181 -0.918 . . . . 1.22 110.24 174.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -68.62 -34.67 76.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.582 -0.735 . . . . 1.95 110.934 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.628 HG13 ' O ' ' A' ' 10' ' ' GLY . 70.1 mt -60.97 -46.5 96.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.432 -0.349 . . . . 2.55 110.299 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.407 ' HD2' ' CE2' ' A' ' 71' ' ' PHE . 50.9 t80 -64.53 -47.73 77.73 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 3.26 109.852 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.55 -25.35 64.46 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.912 -0.586 . . . . 2.85 110.926 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -52.68 19.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.348 -0.387 . . . . 3.5 110.25 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.476 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 96.8 m-85 -84.1 -27.74 28.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 6.61 111.856 -176.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -137.81 118.4 13.94 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.563 -0.532 . . . . 3.15 109.563 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.4 m -89.61 -176.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.974 0.416 . . . . 4.58 111.168 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.23 50.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.619 0.723 . . . . 7.92 109.114 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -73.92 -13.4 60.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.913 -1.04 . . . . 9.05 111.339 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.98 -174.5 31.73 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.923 -0.871 . . . . 5.75 110.923 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -80.77 57.51 3.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.324 0.583 . . . . 8.99 111.056 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -105.26 -65.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.86 -0.793 . . . . 8.34 108.86 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -92.53 166.78 12.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.088 -0.96 . . . . 5.62 109.95 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.1 p -122.87 137.86 54.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.704 0.287 . . . . 4.37 111.08 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt -75.08 80.7 2.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.216 -0.447 . . . . 3.39 110.024 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -103.24 -172.25 2.08 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.185 0.439 . . . . 1.87 112.185 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.85 -34.07 75.99 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.946 0.35 . . . . 1.93 111.946 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.04 -48.73 80.92 Favored Glycine 0 N--CA 1.462 0.382 0 C-N-CA 120.93 -0.652 . . . . 0.47 113.705 -173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.94 -31.47 69.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 2.44 111.071 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 23.2 tp -67.95 -44.31 77.06 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.681 -0.691 . . . . 1.18 109.369 175.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -54.92 -44.86 74.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.296 -0.866 . . . . 2.4 110.995 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 75.2 mt-30 -54.64 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 2.62 110.23 174.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.97 -46.63 43.83 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.958 0.786 . . . . 1.11 110.818 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.3 mt -65.83 -51.64 57.22 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.608 0.595 . . . . 1.18 112.608 -176.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 37.7 p -67.14 -32.15 73.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.808 0.299 . . . . 1.64 111.808 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 11.4 ptmm? -97.69 -33.17 11.4 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.975 0.731 . . . . 2.17 112.975 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 18.2 mm-40 -95.28 -46.83 6.57 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.342 0.591 . . . . 1.67 110.518 -173.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' HG ' HD12 ' B' ' 8' ' ' LEU . 8.2 mp -98.86 23.19 9.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 2.07 110.469 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 38' ' ' THR . . . -61.15 -13.58 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.425 -0.807 . . . . 1.25 112.629 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.61 -5.75 15.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 2.69 111.683 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.428 HG23 HD13 ' B' ' 8' ' ' LEU . 3.4 m -110.57 -60.45 1.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.31 -0.556 . . . . 1.19 111.566 -169.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 55.4 mt -79.05 142.41 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.569 -0.742 . . . . 1.14 110.094 -175.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HG2' ' OXT' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -65.12 123.67 20.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.802 -0.444 . . . . 2.14 109.802 -176.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.512 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.8 m120 46.76 43.09 12.66 Favored 'General case' 0 CA--C 1.519 -0.226 0 O-C-N 123.679 0.612 . . . . 1.62 111.646 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -62.46 -7.94 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 122.066 0.936 . . . . 1.19 110.781 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.455 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -83.34 -13.42 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.874 -1.057 . . . . 1.76 110.094 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.3 m-20 -88.54 128.94 35.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.177 -0.92 . . . . 1.58 110.526 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.04 -30.58 71.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.319 -0.855 . . . . 1.51 110.384 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.642 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -67.2 -36.84 82.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.226 -0.657 . . . . 1.33 109.226 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.453 ' O ' HD13 ' A' ' 57' ' ' ILE . 23.3 t -72.78 -46.19 54.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.774 -1.103 . . . . 1.23 109.588 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 50' ' ' ASP . 44.7 mt -58.63 -34.99 52.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.577 -0.738 . . . . 1.1 110.955 177.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.89 -47.11 75.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.247 -1.019 . . . . 1.53 108.247 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.642 ' HG3' ' O ' ' A' ' 52' ' ' ALA . 42.0 mt-10 -55.52 -46.12 77.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.661 -1.154 . . . . 1.77 111.683 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.6 mp -67.4 -56.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.126 -0.488 . . . . 1.62 110.744 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.21 -45.44 79.86 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.807 -0.633 . . . . 2.59 110.583 -175.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.58 ' HA ' HE21 ' A' ' 59' ' ' GLN . 0.0 OUTLIER -67.63 -26.56 66.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.589 -0.732 . . . . 2.08 110.747 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.3 -25.6 75.15 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.693 -0.765 . . . . 0.56 111.855 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.41 -41.75 9.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.611 -0.514 . . . . 1.14 109.611 177.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.32 73.4 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 1.4 110.215 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.15 -17.74 51.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.288 -0.869 . . . . 1.46 109.578 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.83 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -1.059 . . . . 3.54 110.286 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 60.06 40.27 18.76 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 114.61 -1.177 . . . . 3.2 112.554 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -122.02 6.04 9.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.407 0.622 . . . . 2.13 110.129 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 62.86 59.41 1.39 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.934 -1.03 . . . . 2.02 110.12 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -148.97 116.18 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 2.47 110.336 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 p -95.79 105.17 16.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.664 -0.698 . . . . 2.42 110.268 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.11 178.6 8.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.172 -0.467 . . . . 2.02 109.783 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.407 ' CE2' ' HD2' ' A' ' 15' ' ' PHE . 55.4 m-85 -62.5 -30.3 71.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.958 0.409 . . . . 2.97 110.007 175.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.516 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 7.8 tt0 -69.05 -43.91 73.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 2.16 110.986 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -67.47 -38.13 83.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.911 -0.774 . . . . 1.99 108.911 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CD1' HD22 ' A' ' 77' ' ' LEU . 84.0 t80 -64.3 -27.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.076 -0.965 . . . . 2.55 110.47 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.516 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -64.89 -40.77 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.825 -0.625 . . . . 1.31 109.552 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.427 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 70.5 m -62.93 -38.17 89.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.466 -0.788 . . . . 1.27 110.069 174.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.523 HD22 ' CD1' ' A' ' 74' ' ' PHE . 19.0 tp -57.21 -44.8 84.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.506 -0.316 . . . . 1.78 111.037 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.538 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 22.0 t -66.82 -30.67 50.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.989 -0.374 . . . . 1.15 109.989 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -63.06 -47.34 83.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.15 0.5 . . . . 1.1 109.949 173.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.434 HG23 ' HE2' ' A' ' 91' ' ' LYS . 1.7 mp -58.84 -41.39 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.44 -0.8 . . . . 1.09 110.62 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.482 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.05 -41.23 59.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.451 -0.795 . . . . 1.0 112.019 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.2 mt -61.85 -36.46 81.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.403 0.62 . . . . 1.1 109.346 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 3.7 tmtp? -64.56 -41.99 95.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.191 -0.913 . . . . 2.26 109.933 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.7 65.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.157 -0.474 . . . . 1.24 111.215 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.72 -59.64 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.271 -0.422 . . . . 1.1 111.384 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -76.21 -47.94 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.6 0.714 . . . . 3.4 110.952 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.629 ' C ' ' H ' ' A' ' 89' ' ' THR . 13.6 t80 -88.68 25.66 1.68 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.61 -1.177 . . . . 2.64 109.688 -177.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.54 ' C ' ' H ' ' A' ' 90' ' ' HIS . 33.3 t60 -47.32 16.82 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.755 1.622 . . . . 4.09 114.787 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.629 ' H ' ' C ' ' A' ' 87' ' ' TYR . 14.7 t -79.74 17.64 0.89 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.932 0.873 . . . . 1.46 108.987 171.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.54 ' H ' ' C ' ' A' ' 88' ' ' HIS . 20.1 m170 78.75 77.78 0.06 Allowed 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.061 -1.427 . . . . 4.28 109.797 -176.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HE2' HG23 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -51.53 -34.92 38.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.851 -1.068 . . . . 3.47 110.383 173.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.515 ' OXT' ' HG2' ' A' ' 46' ' ' LYS . 9.4 tp10 . . . . . 0 C--O 1.245 0.865 0 N-CA-C 108.869 -0.789 . . . . 7.09 108.869 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.628 0.233 . . . . 6.8 111.628 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.436 ' HB ' ' H ' ' B' ' 3' ' ' LYS . 24.4 p -85.44 -153.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.467 -0.145 . . . . 4.76 110.895 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.436 ' H ' ' HB ' ' B' ' 2' ' ' THR . 65.0 mttm -87.97 -24.6 23.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 6.35 110.501 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp 67.06 21.42 10.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.425 -0.807 . . . . 4.87 112.187 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -15.74 62.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.397 0.618 . . . . 3.1 110.217 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.489 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 20.7 tt0 -53.98 -22.61 10.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.142 -0.936 . . . . 2.51 111.317 173.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.619 ' O ' HG13 ' B' ' 11' ' ' ILE . 32.6 m-70 -71.07 -47.77 56.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.253 -0.28 . . . . 2.85 110.876 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.482 HD13 ' HB1' ' A' ' 81' ' ' ALA . 69.8 mt -73.17 -62.46 1.46 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.541 0.21 . . . . 1.1 111.358 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.409 ' OE1' ' HB2' ' B' ' 8' ' ' LEU . 2.2 mp0 -62.96 -24.47 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 2.41 110.338 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.644 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -70.36 -43.45 62.38 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.637 -0.71 . . . . 0.48 112.514 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.619 HG13 ' O ' ' B' ' 7' ' ' HIS . 77.4 mt -65.24 -39.01 84.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 117.392 0.596 . . . . 1.84 109.46 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.7 -39.06 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.218 -0.901 . . . . 1.22 110.308 174.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.565 -0.743 . . . . 1.95 110.807 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.644 HG13 ' O ' ' B' ' 10' ' ' GLY . 70.2 mt -61.12 -46.23 97.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.507 -0.315 . . . . 2.55 110.317 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.402 ' HB2' ' CZ ' ' B' ' 74' ' ' PHE . 50.8 t80 -64.55 -47.77 77.53 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.838 -0.43 . . . . 3.26 109.838 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -59.69 -25.08 64.47 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 2.85 110.965 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -52.49 19.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 3.5 110.275 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.478 ' CE1' ' HD3' ' B' ' 39' ' ' LYS . 96.5 m-85 -84.58 -27.19 27.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.395 -0.366 . . . . 6.62 111.882 -176.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -138.28 117.98 13.12 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.687 -0.486 . . . . 3.15 109.687 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -89.34 -176.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.941 0.401 . . . . 4.57 111.252 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.26 49.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.561 0.696 . . . . 7.92 109.201 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -73.46 -13.05 60.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.89 -1.05 . . . . 9.06 111.247 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.71 -174.02 31.61 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.95 -0.86 . . . . 5.77 110.95 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -80.99 57.71 3.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.341 0.591 . . . . 8.99 111.089 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -105.61 -65.35 1.06 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.978 -0.749 . . . . 8.34 108.978 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -92.94 166.6 12.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.05 -0.977 . . . . 5.62 109.98 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -122.95 137.43 54.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.72 0.295 . . . . 4.38 111.169 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.54 80.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 3.39 110.124 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -103.26 -172.11 2.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.142 0.423 . . . . 1.88 112.142 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.88 -34.29 76.37 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 111.919 0.34 . . . . 1.93 111.919 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.53 -49.4 73.74 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 120.916 -0.659 . . . . 0.46 113.645 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.54 -31.35 69.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.058 0.456 . . . . 2.43 111.149 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 23.5 tp -68.01 -44.23 77.02 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.74 -0.664 . . . . 1.18 109.364 175.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.79 -45.23 74.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.332 -0.849 . . . . 2.4 110.935 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 75.4 mt-30 -54.44 -62.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 2.62 110.2 174.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.93 -46.7 43.57 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.569 -0.741 . . . . 1.11 110.905 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.2 mt -65.76 -51.65 57.43 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 112.548 0.573 . . . . 1.18 112.548 -176.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.524 ' O ' ' HB3' ' B' ' 42' ' ' ALA . 37.2 p -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 111.849 0.315 . . . . 1.64 111.849 -174.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 11.4 ptmm? -97.67 -33.18 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.981 0.734 . . . . 2.17 112.981 -176.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.477 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 18.4 mm-40 -95.13 -46.99 6.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.67 110.537 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.451 ' HG ' HD12 ' A' ' 8' ' ' LEU . 8.1 mp -98.73 23.22 9.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 2.07 110.543 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' B' ' 38' ' ' THR . . . -61.29 -13.36 18.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.463 -0.789 . . . . 1.25 112.666 -177.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.53 -6.18 14.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.668 0.247 . . . . 2.69 111.668 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.446 HG23 HD13 ' A' ' 8' ' ' LEU . 3.3 m -110.51 -60.28 1.83 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.149 0.5 . . . . 1.19 111.708 -169.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 55.3 mt -79.29 142.35 14.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.635 -0.712 . . . . 1.13 110.108 -175.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.515 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -65.11 123.68 20.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.965 -0.383 . . . . 2.14 109.965 -176.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.515 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 10.3 m120 46.63 43.3 12.46 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 123.631 0.582 . . . . 1.62 111.545 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.4 tp -62.61 -7.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.903 0.858 . . . . 1.19 110.691 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.481 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.3 mmmm -83.48 -13.21 55.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.937 -1.029 . . . . 1.76 110.055 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.418 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.2 m-20 -88.57 128.66 35.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.039 -0.982 . . . . 1.59 110.61 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.75 -30.72 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.24 -0.891 . . . . 1.5 110.361 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' B' ' 56' ' ' GLU . . . -67.24 -36.91 82.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.157 -0.682 . . . . 1.32 109.157 177.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.459 ' O ' HD13 ' B' ' 57' ' ' ILE . 23.4 t -72.63 -46.36 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.77 -1.104 . . . . 1.23 109.595 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 50' ' ' ASP . 44.0 mt -58.45 -35.14 52.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.445 -0.798 . . . . 1.1 110.831 177.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.71 -47.37 75.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.216 -1.031 . . . . 1.53 108.216 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' B' ' 52' ' ' ALA . 42.8 mt-10 -55.57 -45.88 77.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.728 -1.124 . . . . 1.77 111.635 177.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.534 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.6 mp -67.35 -56.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 1.62 110.753 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.08 -45.44 79.38 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.734 -0.666 . . . . 2.59 110.572 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.584 ' HA ' HE21 ' B' ' 59' ' ' GLN . 0.0 OUTLIER -67.76 -26.49 66.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.597 -0.729 . . . . 2.08 110.795 179.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.58 75.03 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.676 -0.773 . . . . 0.56 111.846 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.35 -42.11 9.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.486 -0.561 . . . . 1.14 109.486 177.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.93 73.3 1.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.449 -0.796 . . . . 1.4 110.225 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.88 -18.1 51.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.382 -0.826 . . . . 1.46 109.663 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -74.03 -18.79 60.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.824 -1.08 . . . . 3.55 110.387 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.02 39.89 19.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.749 -1.114 . . . . 3.2 112.569 174.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -121.67 6.1 10.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.319 0.58 . . . . 2.14 110.155 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 62.8 59.36 1.42 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.078 -0.965 . . . . 2.01 110.085 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.94 116.25 6.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.307 -0.86 . . . . 2.47 110.361 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 p -95.87 105.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.611 -0.722 . . . . 2.42 110.246 176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -80.1 178.68 8.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.053 -0.521 . . . . 2.02 109.769 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.67 -30.25 71.25 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.56 -0.456 . . . . 2.98 110.028 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.535 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 7.8 tt0 -68.83 -44.29 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 2.16 110.955 175.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.4 mm-40 -67.16 -38.15 84.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.874 -0.788 . . . . 1.99 108.874 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.524 ' CD1' HD22 ' B' ' 77' ' ' LEU . 84.0 t80 -64.28 -27.33 68.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.04 -0.982 . . . . 2.55 110.434 174.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -65.18 -40.54 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.878 -0.601 . . . . 1.32 109.498 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.442 ' O ' HD13 ' B' ' 80' ' ' ILE . 66.8 m -63.18 -38.02 89.51 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.59 -0.732 . . . . 1.28 110.066 174.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.524 HD22 ' CD1' ' B' ' 74' ' ' PHE . 19.4 tp -57.23 -44.8 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.473 -0.33 . . . . 1.78 111.044 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.1 t -66.98 -30.59 50.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.937 -0.394 . . . . 1.15 109.937 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -62.81 -47.69 82.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.183 0.516 . . . . 1.11 109.956 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.442 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -58.71 -41.32 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 1.09 110.541 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -74.98 -41.4 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.444 -0.798 . . . . 1.0 112.07 -174.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 89.1 mt -61.78 -36.46 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.408 0.623 . . . . 1.1 109.37 174.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.47 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 3.7 tmtp? -64.54 -42.02 95.99 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.125 -0.943 . . . . 2.26 109.951 174.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.71 65.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.254 -0.43 . . . . 1.24 111.124 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.76 -59.23 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.384 -0.371 . . . . 1.1 111.535 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -76.62 -48.03 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.708 0.766 . . . . 3.39 110.786 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.617 ' C ' ' H ' ' B' ' 89' ' ' THR . 13.5 t80 -88.49 25.73 1.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.632 -1.167 . . . . 2.64 109.644 -177.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.522 ' C ' ' H ' ' B' ' 90' ' ' HIS . 32.6 t60 -47.58 17.27 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.724 1.61 . . . . 4.09 114.77 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.617 ' H ' ' C ' ' B' ' 87' ' ' TYR . 13.5 t -80.11 17.79 0.95 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.754 0.787 . . . . 1.47 108.968 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.522 ' H ' ' C ' ' B' ' 88' ' ' HIS . 20.3 m170 78.6 77.94 0.06 Allowed 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 114.206 -1.361 . . . . 4.28 109.662 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.441 ' HE2' HG23 ' B' ' 80' ' ' ILE . 0.5 OUTLIER -51.79 -34.76 41.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.863 -1.062 . . . . 3.47 110.323 173.525 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.496 ' OXT' ' HG2' ' B' ' 46' ' ' LYS . 9.5 tp10 . . . . . 0 C--O 1.245 0.832 0 N-CA-C 109.195 -0.669 . . . . 7.08 109.195 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttp . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.144 -0.317 . . . . 6.79 110.144 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 p -67.18 158.77 30.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.986 -0.552 . . . . 4.76 111.397 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.4 16.74 17.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.315 -0.402 . . . . 6.36 111.304 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.0 mt 5.82 95.64 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 125.156 1.535 . . . . 4.86 114.702 171.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 72.17 -27.24 0.18 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.9 1.074 . . . . 3.1 113.9 170.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.34 -34.3 46.64 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.004 0.742 . . . . 2.51 113.004 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -78.28 -35.08 48.45 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.109 -0.37 . . . . 2.85 111.727 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.535 ' CD1' ' HB2' ' B' ' 81' ' ' ALA . 62.1 mt -83.75 -54.84 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.048 0.452 . . . . 1.1 109.927 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.03 -27.9 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.434 -0.803 . . . . 2.41 110.423 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.71 -52.13 41.11 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.565 -0.743 . . . . 0.48 111.785 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.41 HG23 HG21 ' A' ' 78' ' ' VAL . 15.0 mm -54.84 -48.18 74.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.045 0.45 . . . . 1.84 110.438 175.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.84 -44.2 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 1.22 111.423 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.61 -40.87 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 1.95 110.555 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 10' ' ' GLY . 22.1 mm -61.28 -44.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 2.55 110.698 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 44.5 t80 -61.28 -46.14 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 3.26 110.088 177.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -63.28 -21.88 66.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 2.85 111.155 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.64 -46.08 12.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.496 -0.32 . . . . 3.5 111.627 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -92.18 6.18 47.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.209 0.448 . . . . 6.61 112.209 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.433 ' HA ' ' OE1' ' A' ' 32' ' ' GLU . 82.9 p -135.35 139.3 44.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.673 -0.492 . . . . 3.15 109.673 173.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.87 144.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.999 0.428 . . . . 4.58 110.953 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 2.9 mpt_? -88.17 -46.35 9.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 7.92 109.712 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttm 52.57 54.36 10.74 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.488 0.661 . . . . 9.05 111.377 173.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.4 -57.85 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.74 -0.664 . . . . 5.75 113.23 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -135.05 143.65 46.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.956 -0.387 . . . . 8.99 109.956 -176.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -66.35 88.12 0.12 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.348 0.594 . . . . 8.34 111.223 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -128.65 -43.7 1.39 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.129 -0.941 . . . . 5.62 109.165 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -83.17 50.77 1.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.376 -0.829 . . . . 4.37 110.923 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp -132.31 32.01 4.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.795 0.807 . . . . 3.39 109.02 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 p -92.39 -171.04 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.09 -0.959 . . . . 1.87 111.699 -173.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 22.3 ttmt -52.59 -29.85 27.98 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.553 -0.294 . . . . 1.93 111.573 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -47.01 91.63 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.229 -0.51 . . . . 0.47 113.193 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.433 ' OE1' ' HA ' ' A' ' 19' ' ' SER . 10.5 mm-40 -63.73 -44.09 94.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.362 0.601 . . . . 2.44 110.044 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 27.2 tp -60.23 -51.66 68.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.868 -1.06 . . . . 1.18 109.617 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 38' ' ' THR . 80.8 tttt -53.93 -48.65 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.342 -0.844 . . . . 2.4 111.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.72 -56.98 12.62 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.38 0.425 . . . . 2.62 110.232 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.8 tt -53.56 -50.48 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.185 -0.461 . . . . 1.11 110.546 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 97.0 mt -59.48 -52.05 67.25 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.887 0.699 . . . . 1.18 112.887 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 34' ' ' LYS . 9.6 t -64.14 -30.9 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.504 0.193 . . . . 1.64 111.498 -173.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HZ1' ' CB ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -97.4 -30.96 12.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 113.117 0.784 . . . . 2.17 113.117 -177.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 57.1 mm-40 -95.65 -40.43 9.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.109 0.481 . . . . 1.67 111.533 -174.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -107.85 18.19 21.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 2.07 110.842 -172.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.434 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -50.64 -36.29 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.515 -0.766 . . . . 1.25 112.527 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -109.17 20.24 18.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.721 0.267 . . . . 2.69 111.721 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.405 HG22 ' CD1' ' B' ' 8' ' ' LEU . 17.6 m -116.91 -64.55 1.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.279 0.561 . . . . 1.19 110.964 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 84' ' ' ALA . 41.2 mt -80.75 138.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.782 -0.645 . . . . 1.14 110.456 -176.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.16 121.18 8.85 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.119 -0.491 . . . . 2.14 109.923 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.452 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.6 m-20 45.09 44.48 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.53 -0.759 . . . . 1.62 111.844 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.513 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -59.8 -6.92 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.842 0.829 . . . . 1.19 111.21 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' HZ1' ' HB3' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -85.76 -9.55 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.357 -0.838 . . . . 1.76 109.949 -179.163 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 54' ' ' ILE . 2.3 m-20 -89.88 128.47 36.2 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.292 -0.867 . . . . 1.58 110.889 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.8 tptm -63.05 -28.49 70.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.12 -0.946 . . . . 1.51 110.23 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -69.21 -34.41 74.82 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.245 -0.65 . . . . 1.33 109.245 177.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 57' ' ' ILE . 38.3 t -73.61 -48.9 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.857 -1.065 . . . . 1.23 109.321 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 25.4 mt -59.13 -37.04 65.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.977 -1.011 . . . . 1.1 111.331 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.555 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.44 -43.08 82.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.888 -0.597 . . . . 1.53 109.74 178.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 40.0 mm-40 -53.39 -48.85 68.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.191 -0.913 . . . . 1.77 110.735 174.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.605 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.6 mt -68.05 -53.98 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 1.62 110.965 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -51.34 -46.37 62.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.296 -0.865 . . . . 2.59 110.904 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -68.6 -24.82 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 2.08 111.148 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.02 -21.87 75.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.859 -0.686 . . . . 0.56 112.353 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.627 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -96.3 -44.73 7.12 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.759 -0.46 . . . . 1.14 109.759 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 34.6 t70 -70.25 71.18 0.42 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 124.032 0.832 . . . . 1.4 110.3 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 -21.85 41.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.124 -0.944 . . . . 1.46 110.055 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -83.9 -13.99 52.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 3.54 110.604 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 91.6 mt-30 65.13 40.0 5.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.936 -1.029 . . . . 3.2 111.87 173.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.13 -3.19 26.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.992 0.425 . . . . 2.13 110.12 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 62.78 30.49 16.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.329 -0.85 . . . . 2.02 109.719 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.59 118.58 12.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.203 -0.908 . . . . 2.47 109.666 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.74 106.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.893 0.377 . . . . 2.42 110.825 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.64 166.13 23.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 2.02 109.722 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -56.37 -40.11 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 2.97 110.595 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.546 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 37.4 tt0 -75.47 -32.06 60.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.363 0.602 . . . . 2.16 111.074 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.627 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.5 mt-10 -71.68 -26.73 62.64 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.422 0.63 . . . . 1.99 109.635 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 65.1 t80 -76.31 -21.49 56.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.464 -0.569 . . . . 2.55 109.464 171.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -62.86 -44.13 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.71 -0.848 . . . . 1.31 108.71 174.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.555 ' O ' HD11 ' A' ' 80' ' ' ILE . 2.0 p -69.36 -30.33 68.31 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.599 -0.728 . . . . 1.27 110.787 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.483 ' HG ' HD13 ' A' ' 33' ' ' LEU . 2.6 tm? -56.42 -47.58 78.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.428 . . . . 1.78 109.856 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.605 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.4 t -66.48 -31.58 54.23 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 115.944 -0.571 . . . . 1.15 110.222 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.516 0.674 . . . . 1.1 109.805 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.555 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.72 -43.66 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.879 -1.055 . . . . 1.09 110.241 174.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.531 ' HB2' ' CD1' ' B' ' 8' ' ' LEU . . . -75.52 -33.64 60.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.961 . . . . 1.0 112.824 -172.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 99.4 mt -67.55 -41.66 83.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.176 0.513 . . . . 1.1 110.291 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.49 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 5.6 mttt -74.99 -23.94 58.35 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.852 -0.739 . . . . 2.26 110.57 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . . . -67.61 -23.61 65.39 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 1.24 110.228 170.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.81 -51.69 7.43 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.175 -0.466 . . . . 1.1 111.355 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' C ' ' H ' ' A' ' 88' ' ' HIS . 41.2 t-80 -82.35 -55.42 4.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.298 0.571 . . . . 3.4 110.957 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.565 ' C ' ' H ' ' A' ' 89' ' ' THR . 7.3 t80 -78.69 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.958 -1.019 . . . . 2.64 109.918 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.6 p-80 -52.0 18.57 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.223 1.564 . . . . 4.09 115.223 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.565 ' H ' ' C ' ' A' ' 87' ' ' TYR . 4.3 t -77.24 -35.7 55.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.438 -1.319 . . . . 1.46 107.438 175.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 89' ' ' THR . 11.0 p80 158.06 85.71 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.066 -1.879 . . . . 4.28 106.585 174.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.49 ' HG3' ' HB3' ' A' ' 83' ' ' LYS . 2.6 ttpt -50.3 -31.46 14.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.747 -0.66 . . . . 3.47 109.874 178.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.996 -1.002 . . . . 7.09 110.291 172.533 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.136 -0.32 . . . . 6.8 110.136 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p -67.27 158.89 30.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 4.76 111.437 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.437 ' HA ' ' HE3' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -114.45 16.84 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.284 -0.416 . . . . 6.35 111.215 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt 5.5 95.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 O-C-N 125.056 1.472 . . . . 4.87 114.728 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 72.4 -27.13 0.18 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.911 1.078 . . . . 3.1 113.911 170.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -52.24 -34.66 46.97 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.051 0.76 . . . . 2.51 113.051 -169.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -77.97 -35.07 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.242 -0.286 . . . . 2.85 111.704 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.531 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 61.7 mt -83.74 -54.79 4.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 1.1 109.95 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.19 -27.81 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.365 -0.834 . . . . 2.41 110.376 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.415 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.92 -51.93 41.74 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.67 -0.696 . . . . 0.48 111.77 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.423 HG23 HG21 ' B' ' 78' ' ' VAL . 15.0 mm -55.01 -48.1 76.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.025 0.441 . . . . 1.84 110.493 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.13 -43.86 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.558 -0.746 . . . . 1.22 111.498 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -65.75 -41.03 92.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 1.95 110.556 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 10' ' ' GLY . 22.3 mm -61.09 -44.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.626 . . . . 2.55 110.782 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.439 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 44.4 t80 -61.43 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 3.26 110.15 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.46 -22.13 66.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.99 -0.55 . . . . 2.85 111.083 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -83.51 -46.19 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.282 -0.417 . . . . 3.5 111.631 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -92.31 6.38 47.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.077 0.399 . . . . 6.62 112.077 -172.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.439 ' HA ' ' OE1' ' B' ' 32' ' ' GLU . 84.2 p -135.6 139.19 43.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.731 -0.47 . . . . 3.15 109.731 173.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 23.5 m -108.77 144.19 17.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.004 0.43 . . . . 4.57 111.081 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.477 ' N ' ' HD2' ' B' ' 21' ' ' ARG . 2.9 mpt_? -87.53 -46.81 9.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.057 -0.519 . . . . 7.92 109.69 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 60.6 tttm 52.7 54.51 10.43 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.477 0.655 . . . . 9.06 111.323 173.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.39 -58.08 5.04 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.68 -0.691 . . . . 5.77 113.116 175.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -134.43 144.36 48.1 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.83 -0.433 . . . . 8.99 109.83 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -66.99 88.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.453 0.644 . . . . 8.34 111.267 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.44 -43.87 1.41 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.148 -0.933 . . . . 5.62 109.119 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.4 p -82.94 50.71 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.254 -0.885 . . . . 4.38 110.835 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.6 tp -132.41 32.02 3.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.873 0.844 . . . . 3.39 108.981 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -92.53 -171.06 2.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 1.88 111.725 -173.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.543 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 22.3 ttmt -52.61 -29.76 27.66 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 122.374 0.269 . . . . 1.93 111.695 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.73 -47.07 91.13 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.374 -0.441 . . . . 0.46 113.21 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.439 ' OE1' ' HA ' ' B' ' 19' ' ' SER . 10.8 mm-40 -63.6 -44.25 94.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.332 0.587 . . . . 2.43 110.144 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.631 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.3 tp -60.21 -51.47 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.931 -1.031 . . . . 1.18 109.639 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.448 ' O ' HG23 ' B' ' 38' ' ' THR . 80.9 tttt -54.11 -48.57 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 2.4 111.413 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.74 -56.87 13.61 Favored 'General case' 0 CA--C 1.519 -0.216 0 O-C-N 123.451 0.469 . . . . 2.62 110.267 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 9.8 tt -53.73 -50.48 65.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.128 -0.487 . . . . 1.11 110.502 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.4 mt -59.73 -51.82 68.15 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.843 0.683 . . . . 1.18 112.843 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.448 HG23 ' O ' ' B' ' 34' ' ' LYS . 9.6 t -64.04 -31.06 72.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.507 0.194 . . . . 1.64 111.514 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.421 ' HZ1' ' CB ' ' B' ' 39' ' ' LYS . 0.1 OUTLIER -97.3 -31.19 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.164 0.802 . . . . 2.17 113.164 -177.308 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 56.7 mm-40 -95.67 -40.29 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.214 0.53 . . . . 1.67 111.619 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -107.58 18.08 21.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.428 -0.806 . . . . 2.07 110.978 -172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.437 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -50.76 -35.78 33.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.439 -0.8 . . . . 1.25 112.573 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -109.52 19.73 18.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.679 -0.237 . . . . 2.69 111.614 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 17.9 m -116.5 -65.11 1.22 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.112 0.482 . . . . 1.19 110.835 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' B' ' 84' ' ' ALA . 41.4 mt -80.13 139.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.878 -0.601 . . . . 1.13 110.466 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.448 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.36 121.1 8.79 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.095 -0.502 . . . . 2.14 109.876 -177.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.448 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 45.21 44.47 8.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.614 -0.721 . . . . 1.62 111.72 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -59.95 -6.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.859 0.838 . . . . 1.19 111.218 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.461 ' HZ1' ' HB3' ' B' ' 49' ' ' LYS . 0.8 OUTLIER -86.0 -9.13 57.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.305 -0.861 . . . . 1.76 110.055 -179.256 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.415 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.4 m-20 -90.26 128.84 36.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.328 -0.851 . . . . 1.59 110.836 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -63.35 -28.4 69.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.16 -0.927 . . . . 1.5 110.211 176.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -69.27 -34.47 74.81 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.295 -0.631 . . . . 1.32 109.295 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.459 ' O ' HG13 ' B' ' 57' ' ' ILE . 38.1 t -73.47 -48.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.807 -1.088 . . . . 1.23 109.355 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.42 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 25.4 mt -58.98 -37.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.939 -1.028 . . . . 1.1 111.286 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.2 OUTLIER -67.59 -43.15 81.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.924 -0.58 . . . . 1.53 109.66 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 40.3 mm-40 -53.28 -48.84 67.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.168 -0.923 . . . . 1.77 110.703 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.1 mt -68.19 -54.05 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.621 -0.718 . . . . 1.62 110.958 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.22 -46.39 62.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.315 -0.857 . . . . 2.59 110.894 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -68.88 -24.12 64.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.725 -0.67 . . . . 2.08 111.244 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.46 -21.92 74.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.56 112.278 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.63 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.4 OUTLIER -96.36 -44.56 7.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.86 -0.422 . . . . 1.14 109.86 178.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -70.15 71.15 0.4 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.262 -0.881 . . . . 1.4 110.278 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.47 -22.37 41.13 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.29 -0.868 . . . . 1.46 110.012 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -83.3 -14.54 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.13 -0.941 . . . . 3.55 110.55 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 65.71 40.17 4.5 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 114.823 -1.08 . . . . 3.2 111.885 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.22 -3.23 26.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 2.14 110.198 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 63.12 29.89 16.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.211 -0.904 . . . . 2.01 109.791 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -139.18 118.52 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.234 -0.894 . . . . 2.47 109.656 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.61 106.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.977 0.418 . . . . 2.42 110.842 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.83 166.14 23.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 2.02 109.678 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -56.35 -40.01 73.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.789 0.328 . . . . 2.98 110.624 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.543 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 37.0 tt0 -75.56 -32.05 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.308 0.575 . . . . 2.16 111.059 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.63 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.6 mt-10 -71.59 -26.81 62.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.436 0.636 . . . . 1.99 109.613 174.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 64.8 t80 -76.35 -21.38 56.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.552 -0.536 . . . . 2.55 109.552 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -62.66 -44.25 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.724 -0.843 . . . . 1.32 108.724 174.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.559 ' O ' HD11 ' B' ' 80' ' ' ILE . 1.8 p -69.49 -30.25 68.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.538 -0.756 . . . . 1.28 110.846 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.485 ' HG ' HD13 ' B' ' 33' ' ' LEU . 2.6 tm? -56.32 -47.72 78.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.693 -0.484 . . . . 1.78 109.693 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 26.7 t -66.45 -31.5 53.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-N 115.946 -0.57 . . . . 1.15 110.229 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.89 -49.43 77.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.558 0.694 . . . . 1.11 109.714 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.559 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.77 -43.65 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.968 -1.015 . . . . 1.09 110.198 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.535 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . . . -75.57 -33.73 60.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.081 -0.963 . . . . 1.0 112.763 -172.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 99.4 mt -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.059 0.457 . . . . 1.1 110.299 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.504 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 5.6 mttt -75.1 -23.78 58.01 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.901 -0.719 . . . . 2.26 110.64 175.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . . . -67.75 -23.63 65.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 1.24 110.123 170.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.75 -51.63 7.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 1.1 111.357 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' B' ' 88' ' ' HIS . 41.1 t-80 -82.59 -55.2 4.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.437 0.637 . . . . 3.39 111.029 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.558 ' C ' ' H ' ' B' ' 89' ' ' THR . 7.2 t80 -78.68 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.008 -0.996 . . . . 2.64 109.942 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.6 p-80 -52.1 18.67 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.03 1.493 . . . . 4.09 115.03 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.558 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -77.27 -35.96 54.73 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 107.327 -1.36 . . . . 1.47 107.327 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' B' ' 89' ' ' THR . 11.0 p80 158.45 85.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 113.088 -1.869 . . . . 4.28 106.668 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.504 ' HG3' ' HB3' ' B' ' 83' ' ' LYS . 2.7 ttpt -49.87 -31.47 12.13 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.798 -0.637 . . . . 3.47 109.909 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 117.956 -1.021 . . . . 7.08 110.198 172.562 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.637 0.256 . . . . 6.79 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.568 ' HB ' ' OE1' ' B' ' 40' ' ' GLU . 3.6 t -119.66 121.52 39.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.358 0.599 . . . . 4.76 111.154 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -88.97 -51.75 5.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 6.36 109.72 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 49.9 tp 178.62 -82.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.139 -0.937 . . . . 4.86 109.106 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' HG2' ' HG1' ' B' ' 44' ' ' THR . 43.8 mt-10 -136.49 15.98 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.439 -0.346 . . . . 3.1 110.257 176.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.556 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 2.5 tm-20 -55.79 -35.68 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 2.51 111.442 -172.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.459 ' O ' HG13 ' A' ' 11' ' ' ILE . 15.4 m170 -70.37 -58.2 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.698 -0.401 . . . . 2.85 111.064 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.512 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 82.9 mt -70.47 -60.92 1.98 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.378 0.609 . . . . 1.1 111.37 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -69.93 -23.2 63.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.577 -0.738 . . . . 2.41 109.725 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.2 -43.37 95.52 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.467 -0.873 . . . . 0.48 111.877 174.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 7' ' ' HIS . 84.0 mt -65.36 -41.29 90.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.178 0.513 . . . . 1.84 110.08 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.18 -42.27 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 1.22 110.357 175.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.81 -37.22 85.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.514 -0.767 . . . . 1.95 111.007 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.592 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.6 mm -61.34 -47.66 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.55 110.474 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.469 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.1 t80 -68.43 -36.14 78.63 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.67 -0.493 . . . . 3.26 109.67 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.36 -24.38 67.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.487 -0.779 . . . . 2.85 111.114 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -79.1 -59.4 2.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 3.5 110.953 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.402 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 93.9 m-85 -74.85 -30.36 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.407 -0.36 . . . . 6.61 111.177 -175.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.9 m -119.16 74.92 1.01 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.402 0.62 . . . . 3.15 109.855 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -73.81 153.65 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.508 -0.769 . . . . 4.58 110.265 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -75.85 71.21 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.984 0.421 . . . . 7.92 110.881 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.81 -30.58 71.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.723 0.773 . . . . 9.05 109.043 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.96 -167.7 18.48 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.094 -1.202 . . . . 5.75 110.094 177.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -71.47 96.91 1.56 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 117.228 0.514 . . . . 8.99 110.069 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 57.68 50.45 10.8 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.69 -0.686 . . . . 8.34 110.271 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.64 130.46 41.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.273 -0.876 . . . . 5.62 111.658 -176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 m 63.12 -89.66 0.03 OUTLIER 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.468 -0.787 . . . . 4.37 111.829 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 45.4 mt 50.35 43.93 26.66 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 122.814 0.445 . . . . 3.39 110.789 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -103.22 -177.92 3.51 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.475 -0.49 . . . . 1.87 111.774 -173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.3 ttmp? -61.24 -34.05 74.5 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 111.725 0.268 . . . . 1.93 111.725 -174.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -44.48 94.71 Favored Glycine 0 C--O 1.235 0.209 0 C-N-CA 120.858 -0.687 . . . . 0.47 113.013 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.22 -41.43 73.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.111 0.481 . . . . 2.44 110.448 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.9 tp -62.75 -43.36 98.99 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.531 -0.758 . . . . 1.18 109.904 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.8 tttt -56.99 -49.34 76.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 2.4 110.935 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -55.59 -54.39 44.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.906 -0.588 . . . . 2.62 109.662 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -52.41 -57.28 10.32 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.964 -0.562 . . . . 1.11 110.308 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.6 mt -59.22 -46.6 88.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.74 0.645 . . . . 1.18 112.74 -173.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.443 HG22 ' HA ' ' A' ' 49' ' ' LYS . 25.0 p -64.94 -35.25 80.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.887 0.328 . . . . 1.64 111.887 -174.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 9.7 ptmm? -96.9 -30.32 13.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.472 0.545 . . . . 2.17 112.472 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.549 ' OE1' ' HB ' ' B' ' 2' ' ' THR . 67.3 mm-40 -90.91 -44.26 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.882 0.372 . . . . 1.67 111.024 -173.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' B' ' 8' ' ' LEU . 19.9 mt -114.79 25.16 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.045 -0.525 . . . . 2.07 110.356 -171.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.83 -40.99 31.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.088 -0.96 . . . . 1.25 113.016 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.3 11.64 37.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.832 0.308 . . . . 2.69 111.832 -172.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.432 ' HG1' ' HG2' ' B' ' 5' ' ' GLU . 19.1 m -108.86 -63.29 1.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.43 0.634 . . . . 1.19 110.62 -177.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 51.7 mt -80.11 131.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.236 -0.893 . . . . 1.14 109.493 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.75 125.57 21.82 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.571 -0.286 . . . . 2.14 110.425 -176.778 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.454 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 18.2 m120 46.22 42.6 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.65 . . . . 1.62 111.696 176.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -64.33 -3.75 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.981 0.896 . . . . 1.19 110.699 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.443 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -84.32 -13.94 51.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.074 -0.966 . . . . 1.76 109.833 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.44 128.57 35.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.17 -0.923 . . . . 1.58 110.787 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.81 68.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.718 . . . . 1.51 110.055 179.015 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.86 -37.96 85.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.944 -0.762 . . . . 1.33 108.944 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' O ' HD11 ' A' ' 57' ' ' ILE . 30.9 t -71.12 -48.99 51.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.684 -1.144 . . . . 1.23 109.457 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.1 mt -58.93 -37.46 67.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.32 -0.855 . . . . 1.1 111.888 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -65.28 -45.08 85.87 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.826 -0.805 . . . . 1.53 108.826 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 39.0 mm-40 -53.95 -49.67 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.84 -1.073 . . . . 1.77 111.282 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.508 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -64.41 -52.42 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 1.62 110.682 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.544 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 94.1 t80 -57.04 -45.19 83.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.386 -0.824 . . . . 2.59 110.453 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.22 -24.66 66.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.7 -0.682 . . . . 2.08 110.842 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.97 73.06 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.71 -0.757 . . . . 0.56 111.925 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -95.79 -43.99 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.089 -0.337 . . . . 1.14 110.089 179.234 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 35.9 t70 -72.78 72.61 1.07 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.258 -0.883 . . . . 1.4 110.058 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.71 -31.45 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.224 -0.898 . . . . 1.46 111.349 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -78.09 -9.46 59.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 3.54 110.799 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 52.0 mt-30 63.63 43.5 5.69 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.006 -0.997 . . . . 3.2 111.799 173.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.56 1.8 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.435 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 29.9 mt-10 58.76 40.48 23.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.331 -0.849 . . . . 2.02 110.583 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -135.47 117.22 15.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.416 -0.811 . . . . 2.47 109.675 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 4.4 p -93.1 107.21 18.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.694 0.759 . . . . 2.42 110.404 176.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -73.63 170.74 14.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 2.02 109.973 177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -59.83 -33.43 71.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.236 0.541 . . . . 2.97 109.839 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.538 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 27.0 tt0 -65.97 -40.22 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.653 -0.703 . . . . 2.16 111.0 174.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 34.0 mt-10 -78.0 -29.18 49.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.368 0.604 . . . . 1.99 110.072 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 78' ' ' VAL . 80.5 t80 -71.57 -21.05 61.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.805 -0.634 . . . . 2.55 109.349 170.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.663 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.9 OUTLIER -69.66 -42.82 80.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.568 -0.742 . . . . 1.31 109.559 176.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.508 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.3 p -66.3 -30.48 70.91 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.007 -0.542 . . . . 1.27 109.986 172.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.512 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.2 tm? -58.39 -45.95 87.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.839 -0.43 . . . . 1.78 109.839 175.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 74' ' ' PHE . 21.2 t -67.49 -26.66 36.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 116.382 -0.372 . . . . 1.15 110.043 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -64.55 -48.29 75.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 1.1 109.894 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.55 -40.57 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.425 -0.807 . . . . 1.09 110.126 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.503 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -75.26 -38.4 60.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.548 -0.751 . . . . 1.0 112.268 -174.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 90.4 mt -64.45 -35.96 82.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.147 -0.686 . . . . 1.1 109.147 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.644 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -66.21 -39.7 89.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.015 -0.993 . . . . 2.26 110.111 174.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.49 66.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.039 -0.528 . . . . 1.24 111.318 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.52 -54.16 5.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.454 -0.339 . . . . 1.1 111.531 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -85.28 -49.4 8.21 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.217 0.532 . . . . 3.4 111.156 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.571 ' C ' ' H ' ' A' ' 89' ' ' THR . 25.4 t80 -85.2 23.6 1.25 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.37 -0.832 . . . . 2.64 109.993 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.427 ' C ' ' H ' ' A' ' 90' ' ' HIS . 5.3 p-80 -46.46 20.42 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.223 1.935 . . . . 4.09 116.223 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.571 ' H ' ' C ' ' A' ' 87' ' ' TYR . 10.3 t -83.92 24.07 0.95 Allowed 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.437 0.695 . . . . 1.46 110.551 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 89' ' ' THR . 58.5 m-70 89.23 82.82 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 125.134 1.374 . . . . 4.28 109.19 -173.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.72 ' HE2' ' C ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -72.23 -69.39 0.4 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.457 -1.247 . . . . 3.47 110.766 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--O 1.25 1.08 0 N-CA-C 109.553 -0.536 . . . . 7.09 109.553 -170.29 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.548 0.214 . . . . 6.8 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.549 ' HB ' ' OE1' ' A' ' 40' ' ' GLU . 3.4 t -119.52 121.35 39.21 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.336 0.589 . . . . 4.76 111.068 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -88.89 -52.04 5.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.765 -0.652 . . . . 6.35 109.605 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.402 ' HG ' ' HG3' ' B' ' 5' ' ' GLU . 49.7 tp 179.05 -82.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.209 -0.905 . . . . 4.87 109.07 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.432 ' HG2' ' HG1' ' A' ' 44' ' ' THR . 43.4 mt-10 -136.38 16.03 3.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.509 -0.314 . . . . 3.1 110.305 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.56 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 2.6 tm-20 -55.73 -35.64 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 2.51 111.437 -172.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.452 ' O ' HG13 ' B' ' 11' ' ' ILE . 15.6 m170 -70.42 -58.01 4.18 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.993 -0.442 . . . . 2.85 111.154 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.503 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 82.8 mt -70.68 -60.96 1.95 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.221 0.534 . . . . 1.1 111.31 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -69.72 -23.35 63.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.524 -0.762 . . . . 2.41 109.701 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.605 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.1 -43.47 95.6 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.436 -0.888 . . . . 0.48 111.837 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.8 mt -65.46 -41.33 90.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.097 0.475 . . . . 1.84 109.977 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.14 -42.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.552 -0.749 . . . . 1.22 110.439 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.72 -37.07 85.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.553 -0.749 . . . . 1.95 110.992 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.605 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -61.51 -47.81 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.373 -0.376 . . . . 2.55 110.479 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.476 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.2 t80 -68.31 -36.11 78.82 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.142 0.496 . . . . 3.26 109.678 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.39 -24.19 67.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.525 -0.761 . . . . 2.85 111.093 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -79.36 -59.08 2.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 3.5 111.013 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.403 ' CE1' ' HD3' ' B' ' 39' ' ' LYS . 93.8 m-85 -75.11 -30.26 60.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 6.62 111.277 -176.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.1 m -119.23 74.52 0.99 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.46 0.647 . . . . 3.15 109.857 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.18 154.12 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.595 -0.73 . . . . 4.57 110.314 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -76.36 71.11 3.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.771 0.319 . . . . 7.92 111.125 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.76 -30.82 71.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.767 0.794 . . . . 9.06 108.965 173.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.41 -168.01 18.56 Favored Glycine 0 N--CA 1.439 -1.126 0 CA-C-N 114.633 -1.167 . . . . 5.77 110.222 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.12 96.5 1.36 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 117.042 0.421 . . . . 8.99 110.121 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 57.56 50.9 10.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.641 -0.709 . . . . 8.34 110.25 -176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.01 130.68 42.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.291 -0.868 . . . . 5.62 111.582 -176.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 m 63.23 -89.97 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.541 -0.754 . . . . 4.38 111.734 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 45.4 mt 50.6 43.68 27.51 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 122.816 0.446 . . . . 3.39 110.726 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.474 -0.49 . . . . 1.88 111.894 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.535 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.3 ttmp? -60.85 -34.17 74.18 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.658 0.244 . . . . 1.93 111.658 -174.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.98 -44.37 94.57 Favored Glycine 0 C--N 1.328 0.107 0 C-N-CA 120.819 -0.705 . . . . 0.46 113.008 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.6 -41.25 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.139 0.495 . . . . 2.43 110.359 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 26.9 tp -62.64 -43.35 99.03 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 1.18 110.05 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.8 tttt -57.08 -49.2 76.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.797 -0.638 . . . . 2.4 110.976 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -55.63 -54.27 46.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.022 -0.535 . . . . 2.62 109.742 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.54 -57.18 10.77 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 116.001 -0.545 . . . . 1.11 110.389 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.7 mt -59.16 -46.79 87.45 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 112.7 0.63 . . . . 1.18 112.7 -173.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.421 HG22 ' HA ' ' B' ' 49' ' ' LYS . 26.2 p -64.75 -35.6 81.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.781 0.289 . . . . 1.64 111.781 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.403 ' HD3' ' CE1' ' B' ' 18' ' ' TYR . 9.7 ptmm? -96.57 -30.51 13.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 2.17 112.492 -176.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.568 ' OE1' ' HB ' ' A' ' 2' ' ' THR . 67.1 mm-40 -90.8 -44.41 9.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 1.67 110.998 -173.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.418 HD22 ' CD1' ' A' ' 8' ' ' LEU . 19.3 mt -114.65 25.24 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 2.07 110.359 -171.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.503 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.8 -41.15 31.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.029 -0.987 . . . . 1.25 112.952 -177.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -102.18 11.46 38.23 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.978 0.362 . . . . 2.69 111.978 -172.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.45 ' HG1' ' HG2' ' A' ' 5' ' ' GLU . 18.6 m -108.64 -63.35 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.423 0.63 . . . . 1.19 110.479 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.548 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -80.26 131.22 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.28 -0.873 . . . . 1.13 109.517 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.464 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -55.39 125.57 21.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 123.313 0.383 . . . . 2.14 110.403 -176.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.464 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 17.2 m120 46.34 42.53 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.62 111.723 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.548 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -64.24 -3.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.91 0.862 . . . . 1.19 110.592 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' B' ' 47' ' ' ASN . 13.3 mmmm -84.28 -14.27 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.224 -0.898 . . . . 1.76 109.781 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.11 128.42 35.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.222 -0.899 . . . . 1.59 110.722 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.18 -26.92 68.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.606 -0.725 . . . . 1.5 110.045 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.76 -37.89 85.51 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.984 -0.747 . . . . 1.32 108.984 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.464 ' O ' HD11 ' B' ' 57' ' ' ILE . 30.4 t -71.39 -48.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.54 -1.209 . . . . 1.23 109.337 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.2 mt -58.96 -37.53 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.41 -0.814 . . . . 1.1 111.866 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.9 OUTLIER -65.43 -44.99 85.64 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.8 -0.815 . . . . 1.53 108.8 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 33.2 mm-40 -53.73 -49.86 67.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.892 -1.049 . . . . 1.77 111.355 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.36 -52.35 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 1.62 110.742 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.535 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 94.1 t80 -57.16 -45.23 83.82 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.298 -0.864 . . . . 2.59 110.311 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.13 -24.6 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.717 -0.674 . . . . 2.08 110.943 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.4 -26.02 72.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.723 -0.751 . . . . 0.56 111.871 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.4 OUTLIER -95.73 -44.06 7.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.083 -0.34 . . . . 1.14 110.083 179.386 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.449 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 35.8 t70 -72.96 72.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.366 -0.834 . . . . 1.4 110.084 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.97 62.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.848 . . . . 1.46 111.35 -176.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.78 -9.35 58.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.059 -0.519 . . . . 3.55 110.843 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . 0.449 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 52.0 mt-30 63.38 43.89 5.81 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.116 -0.947 . . . . 3.2 111.812 173.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -107.7 1.48 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 2.14 110.492 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.413 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 29.5 mt-10 59.06 40.25 22.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.356 -0.838 . . . . 2.01 110.502 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -135.28 117.22 15.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.384 -0.825 . . . . 2.47 109.732 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 4.4 p -93.09 107.21 18.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.67 0.748 . . . . 2.42 110.435 176.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.46 170.87 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 2.02 109.833 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -60.09 -33.47 72.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.1 0.476 . . . . 2.98 109.763 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.544 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 26.6 tt0 -65.81 -40.36 91.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.76 -0.654 . . . . 2.16 110.942 174.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 33.9 mt-10 -77.89 -29.24 50.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.343 0.592 . . . . 1.99 110.013 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.52 ' O ' HG23 ' B' ' 78' ' ' VAL . 80.8 t80 -71.42 -21.22 62.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.427 0.632 . . . . 2.55 109.302 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.644 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.9 OUTLIER -69.58 -42.95 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.529 -0.759 . . . . 1.32 109.527 176.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.527 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.6 p -66.06 -30.38 70.9 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.966 -0.561 . . . . 1.28 110.035 172.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.516 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.2 tm? -58.69 -45.81 88.65 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.777 -0.453 . . . . 1.78 109.777 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 74' ' ' PHE . 21.3 t -67.52 -26.74 36.34 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.999 -0.371 . . . . 1.15 109.999 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -64.52 -48.2 76.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.154 0.502 . . . . 1.11 109.985 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.527 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.47 -40.61 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.366 -0.834 . . . . 1.09 110.136 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.512 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -75.22 -38.48 60.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.555 -0.748 . . . . 1.0 112.28 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 90.8 mt -64.32 -35.93 82.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.618 0.723 . . . . 1.1 109.116 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.663 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -66.27 -39.77 89.65 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.023 -0.99 . . . . 2.26 110.076 174.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.56 66.84 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.142 -0.481 . . . . 1.24 111.242 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.62 -53.96 6.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 1.1 111.589 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.412 ' C ' ' H ' ' B' ' 88' ' ' HIS . 77.3 t60 -85.3 -49.79 7.88 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.454 0.645 . . . . 3.39 111.12 -177.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.541 ' C ' ' H ' ' B' ' 89' ' ' THR . 25.1 t80 -84.8 23.37 1.19 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.359 -0.837 . . . . 2.64 109.969 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.412 ' H ' ' C ' ' B' ' 86' ' ' HIS . 5.3 p-80 -46.32 20.73 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 116.237 1.94 . . . . 4.09 116.237 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.541 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.2 t -84.32 24.04 1.02 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.348 0.659 . . . . 1.47 110.527 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.495 ' HB2' ' O ' ' B' ' 89' ' ' THR . 58.9 m-70 89.38 82.38 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.845 0 C-N-CA 124.988 1.315 . . . . 4.28 109.38 -173.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.722 ' C ' ' HE2' ' B' ' 91' ' ' LYS . 0.0 OUTLIER -71.94 -69.49 0.39 Allowed 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.525 -1.216 . . . . 3.47 110.75 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--O 1.249 1.055 0 N-CA-C 109.488 -0.56 . . . . 7.08 109.488 -170.102 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.977 -0.379 . . . . 6.79 109.977 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.443 HG23 ' HA ' ' B' ' 40' ' ' GLU . 91.6 m -54.24 135.87 43.7 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.325 -0.25 . . . . 4.76 110.325 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -110.17 -18.12 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.793 0.33 . . . . 6.36 110.689 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.659 ' HA ' ' O ' ' B' ' 40' ' ' GLU . 95.4 mt 65.94 -121.83 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.612 -0.722 . . . . 4.86 111.259 176.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.517 ' HG2' ' HG1' ' B' ' 44' ' ' THR . 20.7 mt-10 -84.09 -1.37 54.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.793 -0.185 . . . . 3.1 111.393 -174.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.99 -47.73 44.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.002 0.43 . . . . 2.51 110.638 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -48.25 10.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.487 -0.324 . . . . 2.85 111.636 -175.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 68.8 mt -63.32 -61.01 2.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.247 0.546 . . . . 1.1 111.259 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.9 -27.54 68.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.51 -0.768 . . . . 2.41 109.572 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -45.42 93.4 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.704 -0.76 . . . . 0.48 112.348 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.68 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.983 0.42 . . . . 1.84 110.095 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.94 -43.74 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.609 -0.723 . . . . 1.22 111.005 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.31 -36.53 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.883 -0.599 . . . . 1.95 111.035 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.64 -40.72 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 2.55 110.667 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 17.8 m-85 -63.48 -43.27 97.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.236 0.541 . . . . 3.26 109.927 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.16 -21.65 66.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.36 -0.836 . . . . 2.85 110.896 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -82.1 -41.39 20.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 3.5 111.571 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.28 -10.46 25.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.761 0.282 . . . . 6.61 111.761 -175.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -113.62 139.88 48.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.916 0.388 . . . . 3.15 110.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p -65.98 121.57 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 4.58 111.198 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -78.4 -26.77 46.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.275 -0.42 . . . . 7.92 111.141 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -97.97 40.96 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.393 -0.367 . . . . 9.05 110.746 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.32 -45.77 92.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.971 -0.633 . . . . 5.75 111.928 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 73.11 -44.32 0.59 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.481 0.713 . . . . 8.99 111.862 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -112.09 -89.71 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.814 0.34 . . . . 8.34 110.648 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -146.86 33.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.362 0.601 . . . . 5.62 110.202 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -65.85 -19.49 65.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.597 -0.729 . . . . 4.37 111.099 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.47 67.97 2.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.431 0.634 . . . . 3.39 109.587 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 p -103.03 -171.06 1.88 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.547 -0.751 . . . . 1.87 111.029 -176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.612 ' HB2' ' OE2' ' A' ' 67' ' ' GLU . 13.5 ttmm -53.91 -29.67 42.96 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 111.817 0.303 . . . . 1.93 111.817 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.09 89.38 Favored Glycine 0 C--O 1.235 0.168 0 C-N-CA 121.203 -0.522 . . . . 0.47 113.222 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.93 -44.07 73.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.255 0.55 . . . . 2.44 110.189 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.602 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.4 tp -63.55 -50.46 69.42 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.168 -0.924 . . . . 1.18 109.663 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HB2' HG23 ' A' ' 54' ' ' ILE . 41.5 tttp -53.35 -47.65 69.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.319 -0.855 . . . . 2.4 111.618 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 9.9 tt0 -54.73 -59.62 4.46 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.4 -0.364 . . . . 2.62 110.247 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 10.4 tt -52.17 -51.8 55.88 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.92 -0.582 . . . . 1.11 110.683 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 71.6 mt -58.42 -52.49 65.41 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.04 0.756 . . . . 1.18 113.04 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.7 p -63.07 -38.73 92.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.418 -0.356 . . . . 1.64 111.816 -172.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.3 ptmt -96.71 -31.29 12.75 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.296 0.85 . . . . 2.17 113.296 -174.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.631 ' O ' ' HA ' ' B' ' 4' ' ' LEU . 11.5 tp10 -98.0 -39.79 8.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.638 0.256 . . . . 1.67 111.425 -168.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.0 mt -111.76 27.99 9.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.281 0.563 . . . . 2.07 109.639 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -55.28 -26.33 39.59 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 114.805 -1.089 . . . . 1.25 113.341 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -111.67 17.71 19.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.536 0.569 . . . . 2.69 112.536 -172.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.532 ' HG1' ' HG2' ' B' ' 5' ' ' GLU . 28.4 m -119.13 -67.49 0.98 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.447 0.641 . . . . 1.19 110.841 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 27.2 mt -73.64 135.08 28.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.987 -1.006 . . . . 1.14 110.442 -174.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HZ1' HG13 ' A' ' 53' ' ' VAL . 2.3 pptp? -56.13 126.61 26.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 123.248 0.342 . . . . 2.14 110.798 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.424 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 9.5 m120 46.22 40.42 7.45 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 123.847 0.717 . . . . 1.62 111.552 175.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.6 tp -61.26 -8.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.038 0.923 . . . . 1.19 110.906 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -82.42 -17.41 45.49 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.804 -1.089 . . . . 1.76 110.183 179.253 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.15 128.65 34.74 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.567 -0.742 . . . . 1.58 111.0 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.4 tmtp? -62.28 -30.74 71.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.818 -1.083 . . . . 1.51 109.855 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.32 -40.25 89.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.19 -0.67 . . . . 1.33 109.19 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 57' ' ' ILE . 30.7 t -66.75 -47.06 84.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.633 -1.167 . . . . 1.23 109.332 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 34' ' ' LYS . 68.2 mt -60.09 -41.98 88.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.783 -1.098 . . . . 1.1 111.749 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.516 ' O ' ' HG3' ' A' ' 59' ' ' GLN . 6.7 t0 -64.37 -48.28 76.08 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.75 -0.833 . . . . 1.53 108.75 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 30.6 mm-40 -54.5 -41.2 69.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.818 -1.083 . . . . 1.77 111.375 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 53' ' ' VAL . 78.9 mt -70.03 -49.63 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 116.321 -0.4 . . . . 1.62 110.588 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 30' ' ' LYS . 39.7 t80 -56.5 -43.4 79.67 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.873 -0.603 . . . . 2.59 109.881 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 80.3 mt-30 -63.58 -29.04 70.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.841 -0.618 . . . . 2.08 110.57 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.15 -25.14 75.67 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.84 -0.695 . . . . 0.56 111.571 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.31 7.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.983 -0.747 . . . . 1.14 108.983 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.73 67.07 7.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.913 -1.039 . . . . 1.4 109.649 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.61 -21.11 63.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.198 -0.91 . . . . 1.46 111.132 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -89.35 -3.2 58.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.667 -0.697 . . . . 3.54 111.148 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 58.52 40.39 23.91 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.414 -0.812 . . . . 3.2 112.007 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -98.46 -6.98 29.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.29 0.567 . . . . 2.13 110.142 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.612 ' OE2' ' HB2' ' A' ' 30' ' ' LYS . 21.3 tp10 61.61 46.86 6.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.752 -1.113 . . . . 2.02 110.453 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.88 118.92 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 2.47 110.044 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.0 p -101.05 114.88 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.404 0.621 . . . . 2.42 111.828 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.73 170.98 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.547 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -59.64 -29.66 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.754 0.311 . . . . 2.97 111.019 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.601 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.9 tt0 -68.1 -38.22 82.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.499 0.666 . . . . 2.16 110.692 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 28.2 mt-10 -75.9 -32.17 59.52 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.099 -0.501 . . . . 1.99 110.155 177.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.529 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 21.8 m-85 -62.85 -27.7 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.288 0.566 . . . . 2.55 109.709 168.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.601 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -64.92 -41.43 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.529 -0.759 . . . . 1.31 109.503 176.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 64.3 m -61.56 -35.62 78.3 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.314 -0.857 . . . . 1.27 110.201 174.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HG ' HD13 ' A' ' 33' ' ' LEU . 2.1 tm? -58.08 -45.36 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.093 -0.336 . . . . 1.78 110.093 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.2 t -63.64 -33.28 60.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 109.593 -0.521 . . . . 1.15 109.593 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.48 -50.44 73.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.957 -0.565 . . . . 1.1 110.128 176.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.21 -44.11 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 1.09 110.235 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.52 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -68.86 -43.93 74.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.93 . . . . 1.0 112.344 -175.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -67.4 -33.0 74.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.164 0.507 . . . . 1.1 110.188 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.46 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 0.4 OUTLIER -64.28 -49.64 71.01 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.35 -0.611 . . . . 2.26 109.35 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.39 -23.48 64.37 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.932 0.345 . . . . 1.24 111.932 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.04 -60.56 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.844 0.313 . . . . 1.1 111.844 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -80.2 -38.73 30.58 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.766 0.793 . . . . 3.4 110.502 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.588 ' C ' ' H ' ' A' ' 89' ' ' THR . 36.8 t80 -89.96 23.4 2.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.711 -1.131 . . . . 2.64 109.408 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.402 ' C ' ' H ' ' A' ' 90' ' ' HIS . 16.3 p80 -46.98 19.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 115.856 1.799 . . . . 4.09 115.856 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.588 ' H ' ' C ' ' A' ' 87' ' ' TYR . 12.1 t -86.42 15.2 5.64 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.858 -0.793 . . . . 1.46 108.858 174.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 89' ' ' THR . 14.4 m-70 87.33 86.4 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.223 -1.353 . . . . 4.28 109.705 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.46 ' HG3' ' HB3' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -54.28 -23.77 16.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.795 -1.093 . . . . 3.47 110.515 173.237 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.071 -0.966 . . . . 7.09 110.575 -179.725 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.858 -0.423 . . . . 6.8 109.858 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.448 HG23 ' HA ' ' A' ' 40' ' ' GLU . 93.2 m -54.87 135.6 47.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.663 0.268 . . . . 4.76 110.37 174.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -109.55 -18.59 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.77 0.319 . . . . 6.35 110.743 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.631 ' HA ' ' O ' ' A' ' 40' ' ' GLU . 95.5 mt 66.38 -122.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.641 -0.709 . . . . 4.87 111.164 176.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.532 ' HG2' ' HG1' ' A' ' 44' ' ' THR . 20.3 mt-10 -83.77 -1.27 53.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.752 -0.204 . . . . 3.1 111.355 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -49.09 -47.88 44.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 2.51 110.608 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.64 -48.09 11.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.465 -0.334 . . . . 2.85 111.798 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.52 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 68.6 mt -63.34 -60.99 2.65 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.306 0.574 . . . . 1.1 111.325 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.78 -27.97 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.527 -0.761 . . . . 2.41 109.536 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.1 -45.39 93.94 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.772 -0.728 . . . . 0.48 112.274 174.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.89 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.006 0.432 . . . . 1.84 110.053 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.88 -43.78 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.702 -0.681 . . . . 1.22 110.948 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.27 -36.87 84.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 1.95 110.917 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.37 -40.74 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 2.55 110.698 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' B' ' 74' ' ' PHE . 17.9 m-85 -63.51 -43.22 97.84 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.221 0.534 . . . . 3.26 109.877 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -65.28 -21.68 66.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.4 -0.818 . . . . 2.85 110.806 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -82.23 -41.44 20.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 3.5 111.527 -177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.4 -9.64 26.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.943 0.349 . . . . 6.62 111.943 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.3 t -114.1 140.24 48.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.912 0.387 . . . . 3.15 110.218 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p -66.24 121.65 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.69 -0.686 . . . . 4.57 111.163 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -78.26 -27.38 47.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 7.92 110.978 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -97.97 42.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 9.06 110.54 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.07 -45.77 93.47 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.915 -0.66 . . . . 5.77 111.871 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 72.89 -44.13 0.58 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.472 0.709 . . . . 8.99 111.793 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -112.46 -89.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.822 0.344 . . . . 8.34 110.792 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -146.85 33.31 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.396 0.617 . . . . 5.62 110.178 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.0 m -66.08 -18.83 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.636 -0.711 . . . . 4.38 111.144 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.81 68.02 2.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.411 0.624 . . . . 3.39 109.556 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -103.15 -171.1 1.89 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.496 -0.775 . . . . 1.88 111.063 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.617 ' HB2' ' OE2' ' B' ' 67' ' ' GLU . 13.4 ttmm -53.66 -29.99 41.15 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.882 0.327 . . . . 1.93 111.882 -177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -40.93 88.73 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.2 -0.524 . . . . 0.46 113.197 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.74 -44.25 74.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.18 0.515 . . . . 2.43 110.173 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 32.4 tp -63.49 -50.5 69.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.172 -0.922 . . . . 1.18 109.735 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -53.29 -47.9 68.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.306 -0.861 . . . . 2.4 111.592 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 9.9 tt0 -54.61 -59.33 4.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.364 -0.38 . . . . 2.62 110.272 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' B' ' 40' ' ' GLU . 10.4 tt -52.38 -51.7 57.56 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.972 -0.558 . . . . 1.11 110.624 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 72.1 mt -58.57 -52.56 65.14 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.883 0.697 . . . . 1.18 112.883 -174.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.7 p -62.89 -38.75 92.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.401 -0.363 . . . . 1.64 111.97 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.2 ptmt -96.55 -31.74 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.162 0.801 . . . . 2.17 113.162 -174.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.659 ' O ' ' HA ' ' A' ' 4' ' ' LEU . 11.2 tp10 -97.57 -39.86 8.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.628 0.251 . . . . 1.67 111.461 -168.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 8' ' ' LEU . 38.6 mt -111.66 28.11 9.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.297 0.57 . . . . 2.07 109.542 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -54.87 -27.02 39.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.766 -1.106 . . . . 1.25 113.069 -176.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -111.33 17.48 20.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.611 0.597 . . . . 2.69 112.611 -171.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.517 ' HG1' ' HG2' ' A' ' 5' ' ' GLU . 28.5 m -118.97 -67.42 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.493 0.664 . . . . 1.19 110.954 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.519 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 27.1 mt -73.62 135.15 28.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.011 -0.995 . . . . 1.13 110.489 -175.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.443 ' HZ1' HG13 ' B' ' 53' ' ' VAL . 2.3 pptp? -56.07 126.87 27.85 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.283 0.365 . . . . 2.14 110.78 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.43 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.5 m120 45.94 40.38 6.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 123.81 0.694 . . . . 1.62 111.672 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.519 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.6 tp -61.3 -8.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.932 0.872 . . . . 1.19 110.9 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -17.17 46.82 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.815 -1.084 . . . . 1.76 110.147 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.51 129.07 34.9 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.722 -0.672 . . . . 1.59 110.95 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.521 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.4 tmtp? -62.74 -30.68 71.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 1.5 109.716 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.43 -40.18 89.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.578 0.704 . . . . 1.32 109.313 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.498 ' O ' HG13 ' B' ' 57' ' ' ILE . 31.1 t -66.73 -47.25 83.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.551 -1.204 . . . . 1.23 109.249 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.92 -42.08 88.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.725 -1.125 . . . . 1.1 111.758 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' B' ' 59' ' ' GLN . 7.4 t0 -64.31 -48.33 76.04 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.781 -0.822 . . . . 1.53 108.781 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 34.8 mm-40 -54.55 -40.97 69.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.832 -1.076 . . . . 1.77 111.358 177.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 53' ' ' VAL . 78.3 mt -70.14 -49.59 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.366 -0.379 . . . . 1.62 110.591 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' B' ' 30' ' ' LYS . 39.8 t80 -56.68 -43.23 80.24 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.886 -0.597 . . . . 2.59 109.854 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 80.2 mt-30 -63.79 -28.9 70.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.764 -0.653 . . . . 2.08 110.584 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.34 -25.07 75.8 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.882 -0.675 . . . . 0.56 111.624 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.444 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.23 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.019 -0.734 . . . . 1.14 109.019 177.688 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.7 67.07 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.885 -1.052 . . . . 1.4 109.595 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.6 63.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.14 -0.936 . . . . 1.46 111.072 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -88.73 -3.68 58.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 3.55 111.242 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 58.77 40.63 22.84 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.523 -0.762 . . . . 3.2 111.983 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -98.76 -6.67 28.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 2.14 110.288 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.617 ' OE2' ' HB2' ' B' ' 30' ' ' LYS . 21.4 tp10 61.53 46.74 7.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.807 -1.088 . . . . 2.01 110.399 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -148.03 118.7 7.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.431 -0.804 . . . . 2.47 110.147 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 114.81 41.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.486 0.66 . . . . 2.42 111.815 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.77 170.92 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 2.02 109.498 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -59.6 -29.88 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.844 0.293 . . . . 2.98 110.926 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.587 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.9 tt0 -67.8 -38.24 83.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.413 0.625 . . . . 2.16 110.833 174.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 28.3 mt-10 -75.86 -32.06 59.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.068 -0.515 . . . . 1.99 110.12 177.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.535 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 21.7 m-85 -63.0 -27.85 69.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.589 -0.523 . . . . 2.55 109.589 168.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.587 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -64.69 -41.46 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.585 -0.734 . . . . 1.32 109.46 176.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.47 ' O ' HD11 ' B' ' 80' ' ' ILE . 58.7 m -61.58 -35.57 78.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.356 -0.838 . . . . 1.28 110.235 174.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.5 ' HG ' HD13 ' B' ' 33' ' ' LEU . 2.1 tm? -58.19 -45.31 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.073 -0.343 . . . . 1.78 110.073 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.1 t -63.6 -33.49 61.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.522 -0.547 . . . . 1.15 109.522 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.21 -50.45 73.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 1.11 110.128 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.47 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.34 -44.15 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.795 . . . . 1.09 110.298 175.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.523 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -68.82 -43.89 74.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.146 -0.934 . . . . 1.0 112.358 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 94.9 mt -67.38 -32.99 74.27 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.198 0.523 . . . . 1.1 110.212 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.477 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 0.4 OUTLIER -64.33 -49.63 70.96 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.354 -0.61 . . . . 2.26 109.354 171.672 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.59 64.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.963 0.357 . . . . 1.24 111.963 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.98 -60.29 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.916 0.339 . . . . 1.1 111.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -80.41 -38.66 29.8 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.624 0.726 . . . . 3.39 110.568 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.591 ' C ' ' H ' ' B' ' 89' ' ' THR . 37.3 t80 -90.08 23.43 2.83 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.719 -1.128 . . . . 2.64 109.441 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.2 20.1 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 115.792 1.775 . . . . 4.09 115.792 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.591 ' H ' ' C ' ' B' ' 87' ' ' TYR . 12.1 t -86.77 15.49 5.71 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.934 -0.765 . . . . 1.47 108.934 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' B' ' 89' ' ' THR . 14.4 m-70 87.03 86.86 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 114.256 -1.338 . . . . 4.28 109.572 -176.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.477 ' HG3' ' HB3' ' B' ' 83' ' ' LYS . 0.6 OUTLIER -54.71 -23.6 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.639 -1.164 . . . . 3.47 110.462 173.14 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 117.898 -1.049 . . . . 7.08 110.245 -179.574 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.805 0.336 . . . . 6.79 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.8 m -145.06 97.03 2.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.056 0.455 . . . . 4.76 110.495 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -120.08 9.45 11.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.09 -0.504 . . . . 6.36 110.611 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' B' ' 40' ' ' GLU . 3.0 mm? -74.89 -16.44 60.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.31 0.576 . . . . 4.86 110.057 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.52 1.95 10.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.503 -0.771 . . . . 3.1 110.725 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.05 -28.64 64.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.431 0.634 . . . . 2.51 110.148 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.512 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 93.2 m-70 -74.04 -46.46 43.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 2.85 109.675 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 88.7 mt -60.14 -59.07 6.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.262 0.553 . . . . 1.1 110.915 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.68 -26.19 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.493 -0.776 . . . . 2.41 110.83 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.515 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -69.57 -33.41 71.95 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.089 -0.577 . . . . 0.48 111.773 176.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.445 HG22 HG21 ' A' ' 78' ' ' VAL . 30.8 mm -70.44 -37.8 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.549 0.69 . . . . 1.84 109.219 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.6 t -64.92 -27.13 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.55 -0.75 . . . . 1.22 110.472 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.33 -44.05 72.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.8 -0.636 . . . . 1.95 110.263 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 pt -72.19 -23.44 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.693 -0.403 . . . . 2.55 110.574 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.671 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 13.6 m-30 -61.24 -46.49 90.18 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.142 -0.688 . . . . 3.26 109.142 169.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CE1' HG23 ' A' ' 20' ' ' VAL . 22.9 t60 -67.09 -20.97 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.928 -1.033 . . . . 2.85 110.393 177.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -71.63 -53.07 14.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.05 -0.523 . . . . 3.5 112.003 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.671 ' CE2' ' HA ' ' A' ' 15' ' ' PHE . 15.8 p90 -70.86 -26.42 63.25 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 120.329 -0.549 . . . . 6.61 111.046 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 p -93.5 -179.58 5.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.68 -0.489 . . . . 3.15 109.68 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG23 ' CE1' ' A' ' 16' ' ' HIS . 72.3 t 69.2 122.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 O-C-N 123.35 0.406 . . . . 4.58 110.726 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 67.24 93.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.654 -0.703 . . . . 7.92 109.579 -174.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -54.88 110.68 0.69 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.209 -0.905 . . . . 9.05 111.509 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.12 -39.66 5.07 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.799 -0.715 . . . . 5.75 111.943 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -151.45 55.68 0.86 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.268 0.556 . . . . 8.99 110.013 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 60.68 83.38 0.14 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.23 -0.896 . . . . 8.34 110.441 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.516 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 10.9 p-10 -65.51 105.83 1.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.725 0.774 . . . . 5.62 109.818 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -132.89 3.94 3.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.714 -0.676 . . . . 4.37 111.348 -174.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 68.9 mt 62.38 40.54 10.99 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.998 -0.546 . . . . 3.39 110.739 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -99.58 -171.5 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.198 -0.455 . . . . 1.87 109.874 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 18.7 ttmt -61.99 -25.82 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.616 0.228 . . . . 1.93 111.616 -173.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.48 99.69 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.736 -0.745 . . . . 0.47 112.532 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.516 ' OE2' ' HA ' ' A' ' 26' ' ' ASP . 6.2 mm-40 -66.05 -43.36 87.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.473 0.654 . . . . 2.44 109.823 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 16.9 tp -60.87 -49.94 75.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.89 -1.05 . . . . 1.18 109.992 176.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HA ' HD11 ' A' ' 54' ' ' ILE . 1.6 tmtp? -56.23 -49.56 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.964 -1.016 . . . . 2.4 110.77 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.637 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 56.1 tt0 -52.13 -61.9 1.98 Allowed 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 123.343 0.402 . . . . 2.62 110.017 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -53.32 -53.65 47.87 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.567 0.542 . . . . 1.11 111.265 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 63.2 mt -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.849 0.685 . . . . 1.18 112.849 -173.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.7 p -64.78 -34.9 79.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.851 0.315 . . . . 1.64 111.851 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.5 ptmm? -97.34 -34.35 11.09 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.865 0.691 . . . . 2.17 112.865 -175.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE1' ' HG3' ' A' ' 39' ' ' LYS . 7.0 mm-40 -96.17 -36.35 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 1.67 111.03 -170.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 mp -115.09 27.43 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.285 0.564 . . . . 2.07 109.706 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.01 -34.01 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.725 -1.125 . . . . 1.25 113.795 -173.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -109.72 9.74 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.179 0.514 . . . . 2.69 111.03 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.6 -63.52 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.433 0.635 . . . . 1.19 110.469 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.547 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 54.2 mt -80.66 136.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.246 -0.888 . . . . 1.14 110.16 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.65 124.12 17.26 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.643 -0.253 . . . . 2.14 111.223 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 49' ' ' LYS . 2.6 t-20 42.87 46.87 4.71 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.83 0.824 . . . . 1.62 110.709 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.547 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 5.5 tp -66.04 3.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.976 -1.011 . . . . 1.19 110.148 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' H ' ' C ' ' A' ' 47' ' ' ASN . 13.8 mmmm -97.64 -1.34 43.89 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.742 -0.663 . . . . 1.76 109.64 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 3.0 t70 -101.2 133.6 45.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.329 -0.85 . . . . 1.58 110.484 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.43 -20.39 65.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.618 -0.719 . . . . 1.51 110.322 178.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -71.17 -36.3 71.95 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.736 -0.838 . . . . 1.33 108.736 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.8 t -75.78 -45.39 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.816 -1.083 . . . . 1.23 109.275 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 34' ' ' LYS . 59.4 mt -59.53 -38.26 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.786 -1.097 . . . . 1.1 111.011 176.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.26 -49.59 71.28 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.67 -0.695 . . . . 1.53 110.05 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 19.8 mm-40 -49.36 -45.94 46.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.063 -0.971 . . . . 1.77 111.149 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.632 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.7 mt -72.5 -54.42 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 116.387 -0.369 . . . . 1.62 110.926 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 85.2 t80 -50.96 -50.74 57.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.856 -0.611 . . . . 2.59 111.062 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -69.82 -20.68 63.43 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.274 -0.875 . . . . 2.08 110.688 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.37 -23.91 69.58 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.061 -0.59 . . . . 0.56 112.137 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -92.96 -43.1 9.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.374 -0.973 . . . . 1.14 108.374 177.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.36 73.3 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 1.4 109.987 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.66 -16.75 63.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 1.46 110.63 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -20.29 56.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 3.54 109.711 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 59.96 40.78 18.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.051 -0.977 . . . . 3.2 110.849 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.8 1.21 28.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 2.13 110.054 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 66.67 36.59 4.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.064 -0.971 . . . . 2.02 109.679 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -143.08 117.59 9.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.714 -1.13 . . . . 2.47 110.233 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 18.3 m -110.84 125.39 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.123 0.487 . . . . 2.42 110.452 173.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.43 170.37 16.25 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.178 -0.675 . . . . 2.02 109.178 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.81 -29.51 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.955 0.407 . . . . 2.97 110.4 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 28.3 tt0 -69.32 -41.5 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 2.16 111.484 175.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.06 -33.32 67.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.111 0.481 . . . . 1.99 109.888 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.642 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 1.2 t80 -68.11 -21.29 64.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.719 0.771 . . . . 2.55 109.083 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -71.53 -35.22 55.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.194 -0.912 . . . . 1.31 109.477 174.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.524 ' O ' HD12 ' A' ' 80' ' ' ILE . 28.4 m -64.44 -35.71 81.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.49 -0.777 . . . . 1.27 109.33 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.642 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.1 tm? -54.54 -47.0 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.988 0.423 . . . . 1.78 110.1 175.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.539 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.5 t -63.94 -33.25 60.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 CA-C-N 115.958 -0.565 . . . . 1.15 109.872 -177.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -61.8 -45.2 94.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.334 0.587 . . . . 1.1 110.319 175.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -61.02 -41.3 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.25 -0.886 . . . . 1.09 110.273 175.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -69.83 -34.49 73.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 1.0 111.431 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -68.92 -40.22 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.501 . . . . 1.1 110.115 176.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' HG2' HD13 ' B' ' 75' ' ' ILE . 7.8 mmmm -59.25 -49.17 78.87 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 109.06 -0.718 . . . . 2.26 109.06 171.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -62.13 -21.61 65.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.276 -0.42 . . . . 1.24 111.975 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -79.94 -53.53 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.005 0.372 . . . . 1.1 112.005 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.95 -39.17 18.45 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.78 0.8 . . . . 3.4 110.497 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.57 ' C ' ' H ' ' A' ' 89' ' ' THR . 33.6 t80 -89.66 23.44 2.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.48 -1.236 . . . . 2.64 109.02 177.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 18.4 t-80 -48.53 19.89 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.068 1.747 . . . . 4.09 115.083 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.57 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.7 t -75.28 -31.29 60.68 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.599 -0.889 . . . . 1.46 108.599 172.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.597 ' C ' ' H ' ' A' ' 92' ' ' GLU . 3.1 m80 177.14 -56.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.986 0.915 . . . . 4.28 110.14 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HG3' ' HB3' ' A' ' 83' ' ' LYS . 2.1 ttpp 70.15 -29.25 0.18 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.49 1.116 . . . . 3.47 110.127 -167.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.597 ' H ' ' C ' ' A' ' 90' ' ' HIS . 43.7 mt-10 . . . . . 0 C--O 1.242 0.689 0 CA-C-N 115.277 -0.874 . . . . 7.09 110.434 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.765 0.317 . . . . 6.8 110.287 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 78.3 m -145.03 97.05 2.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.23 -0.441 . . . . 4.76 110.427 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -120.23 9.38 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.144 -0.48 . . . . 6.35 110.641 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 40' ' ' GLU . 3.0 mm? -74.87 -16.29 60.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.247 0.546 . . . . 4.87 110.066 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.56 1.73 11.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.558 -0.746 . . . . 3.1 110.774 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -57.95 -28.52 64.4 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.44 0.638 . . . . 2.51 110.255 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.515 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 93.3 m-70 -74.1 -46.6 41.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 2.85 109.611 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.448 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 88.5 mt -60.08 -59.06 6.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.262 0.553 . . . . 1.1 110.893 174.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.86 -26.06 67.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.625 -0.716 . . . . 2.41 110.774 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -69.51 -33.39 72.18 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.96 -0.638 . . . . 0.48 111.832 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.456 HG22 HG21 ' B' ' 78' ' ' VAL . 30.7 mm -70.38 -37.86 72.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.648 0.737 . . . . 1.84 109.196 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' B' ' 15' ' ' PHE . 82.3 t -64.95 -27.16 41.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.535 -0.757 . . . . 1.22 110.424 175.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.2 -44.28 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 1.95 110.354 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.2 pt -72.12 -23.46 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.686 -0.405 . . . . 2.55 110.663 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.678 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 13.5 m-30 -61.07 -46.15 91.85 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.27 -0.641 . . . . 3.26 109.27 169.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.465 ' CE1' HG23 ' B' ' 20' ' ' VAL . 23.2 t60 -67.59 -20.66 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.957 -1.019 . . . . 2.85 110.441 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -71.71 -53.5 13.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 3.5 111.879 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.678 ' CE2' ' HA ' ' B' ' 15' ' ' PHE . 15.8 p90 -70.67 -25.78 63.14 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.267 -0.573 . . . . 6.62 111.18 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 36.2 p -94.15 -179.32 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.676 -0.49 . . . . 3.15 109.676 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.465 HG23 ' CE1' ' B' ' 16' ' ' HIS . 72.4 t 68.8 122.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 123.347 0.404 . . . . 4.57 110.884 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 67.17 93.44 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.807 -0.633 . . . . 7.92 109.736 -173.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -55.19 110.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.272 -0.876 . . . . 9.06 111.57 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.95 -39.62 5.14 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.874 -0.679 . . . . 5.77 111.932 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -151.29 55.9 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.279 0.562 . . . . 8.99 109.848 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 60.75 82.45 0.16 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.152 -0.931 . . . . 8.34 110.632 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.509 ' HA ' ' OE2' ' B' ' 32' ' ' GLU . 10.9 p-10 -64.96 105.83 1.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.794 0.807 . . . . 5.62 109.883 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.2 t -132.71 4.21 3.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 4.38 111.383 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 68.4 mt 62.21 40.48 11.56 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.183 0.516 . . . . 3.39 110.887 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.2 t -99.53 -171.19 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.756 -0.461 . . . . 1.88 109.756 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.49 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 18.8 ttmt -62.35 -25.74 68.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.622 0.231 . . . . 1.93 111.622 -173.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.7 -42.82 99.64 Favored Glycine 0 N--CA 1.455 -0.048 0 C-N-CA 120.934 -0.65 . . . . 0.46 112.597 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.509 ' OE2' ' HA ' ' B' ' 26' ' ' ASP . 6.1 mm-40 -65.47 -43.71 89.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.413 0.625 . . . . 2.43 109.856 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 17.0 tp -60.74 -49.88 75.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.958 -1.019 . . . . 1.18 109.919 176.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.463 ' HA ' HD11 ' B' ' 54' ' ' ILE . 1.6 tmtp? -56.41 -49.34 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.056 -0.974 . . . . 2.4 110.72 -178.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 56.5 tt0 -52.34 -61.81 2.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.355 0.409 . . . . 2.62 110.032 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -53.39 -53.57 49.24 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.9 -0.591 . . . . 1.11 111.221 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 63.6 mt -62.04 -47.96 82.39 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.81 0.67 . . . . 1.18 112.81 -173.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 31.1 p -64.66 -34.9 79.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.854 0.316 . . . . 1.64 111.854 -174.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.6 ptmm? -97.31 -34.19 11.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.908 0.707 . . . . 2.17 112.908 -175.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.51 ' OE1' ' HG3' ' B' ' 39' ' ' LYS . 6.7 mm-40 -96.2 -36.32 10.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.87 0.367 . . . . 1.67 111.108 -170.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.18 27.54 9.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.372 0.606 . . . . 2.07 109.771 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.85 -34.67 55.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.732 -1.122 . . . . 1.25 113.751 -173.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -109.45 9.92 25.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.282 0.563 . . . . 2.69 111.02 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.62 -63.9 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.466 0.651 . . . . 1.19 110.335 -174.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.4 mt -80.17 136.5 23.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.176 -0.92 . . . . 1.13 110.046 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.89 124.4 18.45 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.545 -0.298 . . . . 2.14 111.168 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.56 ' C ' ' H ' ' B' ' 49' ' ' LYS . 2.7 t-20 42.48 46.85 4.24 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.842 0.83 . . . . 1.62 110.798 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 5.5 tp -65.92 3.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.044 -0.98 . . . . 1.19 110.181 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.56 ' H ' ' C ' ' B' ' 47' ' ' ASN . 13.8 mmmm -97.47 -1.78 43.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.871 -0.604 . . . . 1.76 109.697 -177.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.426 ' HB2' ' OD1' ' B' ' 47' ' ' ASN . 2.8 t70 -100.69 133.34 45.28 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.209 -0.905 . . . . 1.59 110.612 178.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.49 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.4 -20.44 65.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 1.5 110.191 178.013 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.82 -36.68 73.06 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.826 -0.805 . . . . 1.32 108.826 175.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 37.2 t -75.71 -45.31 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.632 -1.167 . . . . 1.23 109.299 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.463 HD11 ' HA ' ' B' ' 34' ' ' LYS . 59.6 mt -59.53 -38.23 74.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.87 -1.059 . . . . 1.1 110.95 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.36 -49.44 71.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 115.643 -0.708 . . . . 1.53 110.004 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -49.24 -46.09 45.56 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.048 -0.978 . . . . 1.77 111.375 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.633 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.9 mt -72.54 -54.41 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.177 -0.465 . . . . 1.62 110.927 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.454 ' HB2' ' CD2' ' B' ' 33' ' ' LEU . 85.4 t80 -50.93 -50.61 57.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 2.59 111.181 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -69.91 -20.63 63.36 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.286 -0.87 . . . . 2.08 110.565 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.14 -24.7 68.16 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.989 -0.624 . . . . 0.56 112.149 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.5 OUTLIER -92.45 -43.25 9.3 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.366 -0.976 . . . . 1.14 108.366 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -80.32 73.48 7.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.755 -1.111 . . . . 1.4 110.005 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -16.5 63.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.368 -0.833 . . . . 1.46 110.654 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -20.23 56.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.439 0.637 . . . . 3.55 109.652 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 59.84 41.28 18.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 114.822 -1.081 . . . . 3.2 110.699 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.94 1.05 28.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 2.14 110.063 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 66.61 37.09 4.55 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.15 -0.932 . . . . 2.01 109.75 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -143.5 117.75 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.731 -1.122 . . . . 2.47 110.113 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 18.2 m -111.27 124.95 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.177 0.513 . . . . 2.42 110.529 173.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.96 170.27 16.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 2.02 109.243 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.82 -29.6 62.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.939 0.4 . . . . 2.98 110.346 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.526 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 28.2 tt0 -69.28 -41.52 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 2.16 111.504 175.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.07 -33.17 67.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.124 0.487 . . . . 1.99 109.891 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.642 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 1.2 t80 -68.2 -21.47 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.718 0.77 . . . . 2.55 109.027 173.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -71.46 -35.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.196 -0.911 . . . . 1.32 109.541 174.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.508 ' O ' HD12 ' B' ' 80' ' ' ILE . 27.4 m -64.31 -35.74 81.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.45 -0.795 . . . . 1.28 109.479 172.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.642 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.1 tm? -54.57 -47.08 73.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.303 -0.408 . . . . 1.78 110.009 175.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.2 t -63.74 -33.43 61.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 116.01 -0.541 . . . . 1.15 109.958 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -61.74 -45.2 94.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.323 0.582 . . . . 1.11 110.3 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.508 HD12 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.99 -41.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.253 -0.885 . . . . 1.09 110.289 175.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -69.83 -34.42 73.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.46 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.3 mt -68.94 -40.17 79.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.087 -0.506 . . . . 1.1 110.079 176.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.491 ' HG2' HD13 ' A' ' 75' ' ' ILE . 7.6 mmmm -59.32 -49.09 79.15 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.967 -0.753 . . . . 2.26 108.967 171.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' B' ' 88' ' ' HIS . . . -62.22 -21.63 65.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.178 -0.465 . . . . 1.24 111.958 178.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.01 -53.6 6.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.942 0.349 . . . . 1.1 111.942 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.74 -39.19 18.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.768 0.794 . . . . 3.39 110.547 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.58 ' C ' ' H ' ' B' ' 89' ' ' THR . 34.5 t80 -89.65 23.18 2.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.539 -1.21 . . . . 2.64 108.967 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 18.1 t-80 -48.32 20.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.19 1.796 . . . . 4.09 115.164 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.58 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.1 t -75.49 -31.93 60.38 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.384 -0.969 . . . . 1.47 108.384 172.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.587 ' C ' ' H ' ' B' ' 92' ' ' GLU . 3.1 m80 177.78 -56.32 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.13 -0.941 . . . . 4.28 110.111 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.471 ' HG3' ' HB3' ' B' ' 83' ' ' LYS . 2.1 ttpp 70.29 -29.4 0.18 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.766 -1.106 . . . . 3.47 110.029 -167.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.587 ' H ' ' C ' ' B' ' 90' ' ' HIS . 43.8 mt-10 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.428 -0.805 . . . . 7.08 110.36 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.096 -0.335 . . . . 6.79 110.096 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -68.85 140.64 55.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.069 0.461 . . . . 4.76 110.578 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -91.39 -4.44 55.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.135 -0.484 . . . . 6.36 110.44 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.9 mt 67.99 18.94 9.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.617 -0.719 . . . . 4.86 110.724 -177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.1 -14.63 63.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.583 -0.735 . . . . 3.1 110.175 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.68 -18.86 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.339 -0.846 . . . . 2.51 110.672 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.598 ' O ' HG13 ' A' ' 11' ' ' ILE . 24.0 m-70 -71.34 -49.49 41.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.496 -0.32 . . . . 2.85 110.72 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 75.0 mt -63.31 -60.74 3.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.976 0.417 . . . . 1.1 111.334 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.94 -22.44 66.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.767 -0.651 . . . . 2.41 109.926 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.662 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -72.85 -35.94 58.02 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.316 -0.856 . . . . 0.48 112.636 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 7' ' ' HIS . 56.8 mt -74.42 -39.48 48.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.229 -0.656 . . . . 1.84 109.229 178.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' B' ' 86' ' ' HIS . 69.0 t -55.32 -39.43 52.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.153 -0.93 . . . . 1.22 110.007 169.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.25 -32.71 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.06 -0.973 . . . . 1.95 111.007 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 10' ' ' GLY . 73.5 mt -64.74 -42.55 95.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.925 0.393 . . . . 2.55 110.594 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.88 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.726 -0.472 . . . . 3.26 109.726 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -72.97 -24.71 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 2.85 110.96 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -67.23 -50.1 61.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 3.5 111.56 -174.158 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -85.12 -48.31 9.3 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.755 -0.778 . . . . 6.61 112.279 -176.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p -67.3 -67.68 0.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.704 -0.398 . . . . 3.15 111.828 -170.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t 71.75 -50.9 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.259 0.624 . . . . 4.58 111.898 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -79.04 62.86 3.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.081 -0.509 . . . . 7.92 111.856 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -89.55 84.32 6.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.049 0.452 . . . . 9.05 110.304 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.85 -110.89 0.57 Allowed Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.745 -0.662 . . . . 5.75 112.684 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -93.85 33.76 1.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.885 0.374 . . . . 8.99 110.873 -176.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 56.55 44.89 23.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.413 -0.812 . . . . 8.34 112.238 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -127.71 -10.87 5.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.723 0.773 . . . . 5.62 109.923 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.5 p -87.05 -22.28 25.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.366 -0.834 . . . . 4.37 112.054 -176.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.447 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 1.1 pt? -81.53 66.16 6.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.28 1.038 . . . . 3.39 111.02 -175.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -100.06 -170.51 1.89 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.775 -1.102 . . . . 1.87 110.389 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 22.5 ttmt -60.31 -23.76 64.45 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 122.443 -0.161 . . . . 1.93 111.429 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.43 -57.58 16.66 Favored Glycine 0 C--O 1.235 0.178 0 C-N-CA 121.412 -0.423 . . . . 0.47 114.103 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.62 -38.15 77.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.589 0.218 . . . . 2.44 111.589 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.65 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 23.1 tp -57.56 -51.48 69.29 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.193 -0.669 . . . . 1.18 109.193 175.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 54' ' ' ILE . 26.5 ttpp -49.59 -51.35 37.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.59 -1.187 . . . . 2.4 111.255 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.748 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 6.3 mm100 -61.42 -59.99 4.41 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 116.194 -0.457 . . . . 2.62 110.838 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -47.77 -42.9 26.85 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.414 0.626 . . . . 1.11 110.724 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 82.3 mt -68.44 -49.62 58.62 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.086 -0.507 . . . . 1.18 112.33 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -71.88 -27.51 62.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.66 0.244 . . . . 1.64 111.66 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.748 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.04 -36.36 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.795 0.665 . . . . 2.17 112.795 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 9.2 mm-40 -98.1 -42.22 7.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 1.67 110.812 -171.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' HG ' HD12 ' B' ' 8' ' ' LEU . 6.6 mp -103.41 24.77 10.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.434 0.635 . . . . 2.07 109.781 -178.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -51.28 -32.07 23.42 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.445 -1.252 . . . . 1.25 114.359 -172.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -108.29 -1.96 19.64 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.762 -0.375 . . . . 2.69 111.611 -171.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -96.62 -58.48 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.472 0.653 . . . . 1.19 110.457 -171.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.569 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.2 mt -82.03 139.78 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.969 -1.014 . . . . 1.14 109.907 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 123.76 18.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 123.167 0.292 . . . . 2.14 110.295 -175.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 49' ' ' LYS . 4.4 m-20 42.6 43.86 3.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.977 0.798 . . . . 1.62 111.828 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.569 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.8 tp -61.84 -5.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.98 0.895 . . . . 1.19 111.149 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 47' ' ' ASN . 10.7 mmmm -79.01 -20.65 48.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.159 -0.928 . . . . 1.76 109.862 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -84.24 128.12 34.37 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.406 -0.815 . . . . 1.58 111.249 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.9 tmtp? -62.21 -28.99 70.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.741 -1.118 . . . . 1.51 109.955 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.57 77.5 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.276 0.56 . . . . 1.33 109.527 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 57' ' ' ILE . 14.1 t -67.79 -44.8 85.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.922 -1.035 . . . . 1.23 108.935 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 34' ' ' LYS . 69.1 mt -61.99 -38.44 80.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.653 -1.158 . . . . 1.1 111.001 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 31.3 t70 -63.07 -51.03 68.26 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.47 -0.786 . . . . 1.53 109.2 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.28 -45.09 44.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.713 -1.13 . . . . 1.77 111.439 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.654 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.9 mt -72.4 -52.48 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.29 -0.413 . . . . 1.62 110.807 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 69' ' ' VAL . 83.1 t80 -50.48 -47.06 57.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.71 -0.677 . . . . 2.59 110.849 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.4 mm-40 -62.78 -34.36 77.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.457 -0.792 . . . . 2.08 110.385 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.21 -26.1 74.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.969 -0.634 . . . . 0.56 112.602 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -89.21 -44.6 10.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.102 -0.703 . . . . 1.14 109.102 179.392 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -70.87 73.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.305 -0.861 . . . . 1.4 110.833 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 -16.41 62.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.174 -0.921 . . . . 1.46 109.954 176.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -20.53 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.418 -0.81 . . . . 3.54 109.778 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 56.21 35.1 25.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.783 -1.099 . . . . 3.2 110.758 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -114.95 0.39 13.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 2.13 110.488 -175.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 69.14 37.57 2.12 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.206 -0.906 . . . . 2.02 110.351 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -137.54 117.45 13.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 2.47 109.36 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG13 ' CE1' ' A' ' 58' ' ' PHE . 3.8 m -97.16 107.75 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.374 0.606 . . . . 2.42 111.019 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.97 176.18 4.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 2.02 109.556 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -59.67 -28.35 67.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.508 -0.553 . . . . 2.97 109.508 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 7.6 tt0 -65.56 -44.37 86.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.274 0.559 . . . . 2.16 110.584 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -67.02 -28.25 68.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.743 0.782 . . . . 1.99 109.862 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 78' ' ' VAL . 76.7 t80 -73.33 -25.34 60.59 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.495 -0.775 . . . . 2.55 110.066 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.1 mp -62.42 -44.62 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.379 -0.6 . . . . 1.31 109.379 174.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.587 ' O ' HD12 ' A' ' 80' ' ' ILE . 2.3 p -74.32 -28.31 61.1 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.821 -0.627 . . . . 1.27 110.7 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.451 ' HB2' HD11 ' A' ' 61' ' ' LEU . 2.4 tm? -58.54 -47.6 83.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.976 0.417 . . . . 1.78 109.984 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.9 t -68.66 -28.31 39.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.13 -0.486 . . . . 1.15 110.271 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -58.28 -50.24 74.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.529 0.681 . . . . 1.1 109.55 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.46 -41.78 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.025 -0.989 . . . . 1.09 110.461 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -71.82 -39.8 69.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.396 -0.82 . . . . 1.0 112.506 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' HB2' HG13 ' B' ' 75' ' ' ILE . 94.8 mt -64.32 -41.76 96.65 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.53 0.681 . . . . 1.1 109.882 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 8.7 tptm -65.71 -33.77 76.65 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.929 -1.032 . . . . 2.26 109.148 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.13 -22.92 62.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.504 -0.317 . . . . 1.24 111.05 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -83.29 -60.22 2.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.852 0.315 . . . . 1.1 111.852 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.412 ' HB2' ' CG1' ' B' ' 12' ' ' VAL . 1.5 t60 -77.68 -46.47 21.81 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.427 0.632 . . . . 3.4 110.842 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.627 ' C ' ' H ' ' A' ' 89' ' ' THR . 22.9 t80 -86.63 24.81 1.36 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.859 -1.064 . . . . 2.64 109.609 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.481 ' C ' ' H ' ' A' ' 90' ' ' HIS . 31.6 t60 -48.84 17.99 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.085 1.754 . . . . 4.09 114.602 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.627 ' H ' ' C ' ' A' ' 87' ' ' TYR . 15.0 t -81.82 15.82 2.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.891 -0.781 . . . . 1.46 108.891 172.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.481 ' H ' ' C ' ' A' ' 88' ' ' HIS . 30.2 m80 81.0 82.31 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.162 -1.381 . . . . 4.28 109.189 -175.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.437 ' HE2' HG22 ' A' ' 80' ' ' ILE . 2.6 ttpp -50.41 -40.07 48.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.011 -0.995 . . . . 3.47 110.063 173.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.064 -0.97 . . . . 7.09 111.136 177.077 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.153 -0.314 . . . . 6.8 110.153 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -69.07 140.16 54.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.032 0.444 . . . . 4.76 110.6 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -90.96 -4.42 56.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 6.35 110.491 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 86.0 mt 67.94 19.37 9.44 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.489 -0.778 . . . . 4.87 110.692 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.46 -14.94 63.35 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.548 -0.751 . . . . 3.1 110.192 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.39 -18.9 62.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.092 -0.958 . . . . 2.51 110.662 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.594 ' O ' HG13 ' B' ' 11' ' ' ILE . 23.6 m-70 -71.49 -49.51 40.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.462 -0.335 . . . . 2.85 110.562 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.527 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 76.4 mt -63.25 -60.68 3.08 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.928 0.394 . . . . 1.1 111.245 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -22.38 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.777 -0.647 . . . . 2.41 109.994 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.659 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -72.49 -36.34 59.07 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.423 -0.808 . . . . 0.48 112.623 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.594 HG13 ' O ' ' B' ' 7' ' ' HIS . 56.6 mt -74.26 -39.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.308 -0.627 . . . . 1.84 109.308 178.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 85' ' ' ALA . 64.9 t -55.53 -39.68 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.183 -0.917 . . . . 1.22 109.968 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.02 -32.44 72.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.013 -0.994 . . . . 1.95 111.109 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.659 HG13 ' O ' ' B' ' 10' ' ' GLY . 73.9 mt -64.9 -42.63 95.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 120.922 0.391 . . . . 2.55 110.622 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.61 -35.29 80.53 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.74 -0.467 . . . . 3.26 109.74 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -72.6 -24.95 61.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 2.85 110.946 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 0.0 OUTLIER -67.2 -50.06 62.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 3.5 111.523 -174.052 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -85.21 -48.29 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.748 -0.781 . . . . 6.62 112.313 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -67.28 -67.28 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.755 -0.378 . . . . 3.15 111.902 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 57.7 t 71.31 -50.94 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.248 0.619 . . . . 4.57 111.998 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -78.88 62.64 3.4 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.98 0.512 . . . . 7.92 111.871 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -89.27 84.17 6.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.015 0.436 . . . . 9.06 110.367 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.76 -111.18 0.57 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.926 -0.654 . . . . 5.77 112.703 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -93.37 33.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.913 0.387 . . . . 8.99 110.756 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 56.34 45.03 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.537 -0.756 . . . . 8.34 112.213 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -127.69 -10.98 5.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.574 0.702 . . . . 5.62 109.888 173.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.4 p -86.71 -22.27 26.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.462 -0.79 . . . . 4.38 112.199 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.456 ' H ' ' CD2' ' B' ' 28' ' ' LEU . 1.1 pt? -81.67 66.13 7.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.292 1.044 . . . . 3.39 110.943 -175.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -100.1 -170.48 1.88 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.754 -1.112 . . . . 1.88 110.451 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.533 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 22.4 ttmt -60.21 -23.62 64.17 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 111.509 0.189 . . . . 1.93 111.509 -176.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.56 17.08 Favored Glycine 0 C--O 1.235 0.174 0 N-CA-C 114.1 0.4 . . . . 0.46 114.1 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.83 -38.08 76.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.51 0.189 . . . . 2.43 111.51 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -57.52 -51.59 68.86 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.238 -0.653 . . . . 1.18 109.238 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.448 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 26.4 ttpp -49.45 -51.28 36.74 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.568 -1.196 . . . . 2.4 111.219 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.744 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 6.4 mm100 -61.58 -60.14 4.15 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.227 -0.442 . . . . 2.62 110.814 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -47.47 -42.9 23.66 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.566 0.698 . . . . 1.11 110.735 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 82.4 mt -68.64 -49.46 58.94 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 116.087 -0.506 . . . . 1.18 112.252 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.2 t -71.96 -27.39 62.75 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.687 0.255 . . . . 1.64 111.687 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.744 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -97.11 -36.43 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.71 0.634 . . . . 2.17 112.71 -179.294 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 7.6 mm-40 -98.12 -42.2 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 1.67 110.772 -171.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 8' ' ' LEU . 6.6 mp -103.49 24.78 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 2.07 109.712 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.427 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -51.32 -32.27 24.64 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 114.388 1.255 . . . . 1.25 114.388 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -107.69 -2.77 19.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.917 0.389 . . . . 2.69 111.702 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -96.11 -58.63 2.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.553 0.692 . . . . 1.19 110.389 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.2 mt -81.95 139.57 17.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.949 -1.023 . . . . 1.13 109.927 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 123.51 17.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.199 0.312 . . . . 2.14 110.387 -175.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' B' ' 49' ' ' LYS . 4.3 m-20 42.69 43.84 3.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.999 0.812 . . . . 1.62 111.832 177.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.9 tp -61.81 -5.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.895 0.855 . . . . 1.19 111.05 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' B' ' 47' ' ' ASN . 10.8 mmmm -79.05 -20.9 47.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.217 -0.902 . . . . 1.76 109.782 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.07 128.43 34.55 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.382 -0.826 . . . . 1.59 111.112 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.533 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.9 tmtp? -62.75 -28.88 70.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.828 -1.078 . . . . 1.5 109.968 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.65 77.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.407 -0.59 . . . . 1.32 109.407 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.432 ' O ' HG13 ' B' ' 57' ' ' ILE . 13.9 t -67.68 -44.7 85.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.993 -1.003 . . . . 1.23 108.946 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.448 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 69.2 mt -62.21 -38.14 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.691 -1.14 . . . . 1.1 110.961 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.609 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 28.2 t70 -63.37 -50.96 67.86 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.436 -0.802 . . . . 1.53 109.219 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -49.25 -45.09 44.28 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.741 -1.118 . . . . 1.77 111.384 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.647 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.4 mt -72.28 -52.45 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.331 -0.395 . . . . 1.62 110.886 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.458 ' CE1' HG13 ' B' ' 69' ' ' VAL . 82.7 t80 -50.68 -47.06 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 2.59 110.766 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.8 mm-40 -62.92 -34.11 76.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.804 . . . . 2.08 110.381 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.04 -26.55 73.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.939 -0.648 . . . . 0.56 112.551 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.7 OUTLIER -88.85 -44.83 10.2 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.137 -0.69 . . . . 1.14 109.137 179.518 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -70.57 74.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.24 -0.891 . . . . 1.4 110.899 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.4 -16.36 62.95 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.111 -0.95 . . . . 1.46 109.971 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -20.48 60.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.566 -0.743 . . . . 3.55 109.901 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 56.35 35.16 25.41 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.815 -1.084 . . . . 3.2 110.602 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -114.86 0.24 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.897 -0.592 . . . . 2.14 110.313 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 68.92 37.64 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.315 -0.857 . . . . 2.01 110.35 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -137.35 117.62 13.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.42 -0.809 . . . . 2.47 109.336 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.458 HG13 ' CE1' ' B' ' 58' ' ' PHE . 3.9 m -97.34 107.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.345 0.593 . . . . 2.42 111.156 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.84 176.27 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.689 -0.687 . . . . 2.02 109.579 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -59.85 -28.22 67.32 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.444 -0.576 . . . . 2.98 109.444 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.512 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 7.5 tt0 -65.61 -44.29 87.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.248 0.547 . . . . 2.16 110.668 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -67.19 -28.12 67.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.601 0.715 . . . . 1.99 109.683 175.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.43 ' O ' HG23 ' B' ' 78' ' ' VAL . 77.1 t80 -73.32 -25.4 60.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.639 -0.71 . . . . 2.55 110.023 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.1 mp -62.46 -44.56 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 109.384 -0.599 . . . . 1.32 109.384 174.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.586 ' O ' HD12 ' B' ' 80' ' ' ILE . 2.3 p -74.32 -28.28 61.09 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.802 -0.636 . . . . 1.28 110.709 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.456 ' HG ' HD12 ' B' ' 33' ' ' LEU . 2.4 tm? -58.59 -47.62 83.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 1.78 109.967 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 44.7 t -68.73 -28.13 38.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 1.15 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -58.41 -50.21 74.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.466 0.651 . . . . 1.11 109.513 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.586 HD12 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.19 -42.05 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.068 -0.969 . . . . 1.09 110.428 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.538 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -71.85 -39.6 69.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.405 -0.816 . . . . 1.0 112.532 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 94.8 mt -64.37 -41.96 96.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.515 0.674 . . . . 1.1 109.776 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 8.7 tptm -65.55 -33.62 76.33 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.941 -1.027 . . . . 2.26 109.27 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . . . -70.37 -22.81 62.73 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.47 -0.332 . . . . 1.24 111.129 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -83.33 -60.52 2.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.508 -0.315 . . . . 1.1 111.73 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.42 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 1.5 t60 -77.41 -46.26 23.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.552 0.691 . . . . 3.39 110.952 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.628 ' C ' ' H ' ' B' ' 89' ' ' THR . 23.5 t80 -86.93 24.72 1.44 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.913 -1.04 . . . . 2.64 109.503 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.475 ' C ' ' H ' ' B' ' 90' ' ' HIS . 30.9 t60 -48.73 18.25 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.018 1.727 . . . . 4.09 114.648 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.628 ' H ' ' C ' ' B' ' 87' ' ' TYR . 15.1 t -82.09 15.59 2.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.036 -0.727 . . . . 1.47 109.036 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' B' ' 88' ' ' HIS . 31.0 m80 81.59 81.67 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 114.014 -1.448 . . . . 4.28 109.274 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.45 ' HE2' HG22 ' B' ' 80' ' ' ILE . 2.6 ttpp -49.83 -40.03 40.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.151 -0.931 . . . . 3.47 110.155 173.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.176 -0.916 . . . . 7.08 111.269 177.296 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.04 -0.356 . . . . 6.79 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.0 t -173.32 21.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.443 0.64 . . . . 4.76 110.114 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.423 ' HZ3' ' HB3' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -76.09 -3.41 35.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 6.36 111.795 -175.348 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD22 ' OE1' ' B' ' 40' ' ' GLU . 4.0 mm? -71.02 -17.37 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.067 -0.253 . . . . 4.86 110.462 178.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.96 -42.34 79.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.041 -0.527 . . . . 3.1 109.655 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.83 -25.65 65.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.638 -0.71 . . . . 2.51 110.896 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.6 m-70 -78.83 -50.65 10.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.257 -0.429 . . . . 2.85 110.064 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' CD1' ' HB2' ' B' ' 81' ' ' ALA . 84.8 mt -62.46 -60.3 3.74 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.613 0.57 . . . . 1.1 110.767 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.01 -32.61 72.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.231 -0.895 . . . . 2.41 110.608 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.25 92.86 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.945 -0.571 . . . . 0.48 112.631 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.487 ' O ' HG21 ' A' ' 14' ' ' ILE . 29.2 mm -66.96 -41.68 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.64 0.733 . . . . 1.84 109.662 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -64.07 -45.84 95.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.087 -0.96 . . . . 1.22 111.363 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.68 -40.08 94.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 1.95 111.227 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.487 HG21 ' O ' ' A' ' 11' ' ' ILE . 10.0 tp -70.56 -28.03 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.847 -0.341 . . . . 2.55 110.733 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.5 t80 -70.4 -36.14 73.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.579 -0.526 . . . . 3.26 109.579 175.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -70.43 -19.98 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.576 -0.738 . . . . 2.85 110.165 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -74.76 -59.94 2.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 3.5 110.669 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -78.54 -36.25 44.97 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.991 0.367 . . . . 6.61 111.991 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -99.32 172.85 7.08 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.645 -0.502 . . . . 3.15 109.645 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 t 55.04 44.37 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.86 -0.793 . . . . 4.58 108.86 -174.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -134.93 84.61 2.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.534 -0.757 . . . . 7.92 110.628 -170.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 tttm 72.26 154.41 0.14 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.826 0.704 . . . . 9.05 111.249 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.03 125.05 4.93 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.829 -0.7 . . . . 5.75 112.315 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -68.38 87.75 0.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.98 -0.378 . . . . 8.99 109.98 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 56.65 38.33 29.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.851 -0.613 . . . . 8.34 110.333 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -104.65 -18.22 14.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.569 -0.741 . . . . 5.62 110.057 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.506 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -91.42 -174.94 4.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.671 -0.695 . . . . 4.37 110.597 176.612 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 27' ' ' THR . 3.9 mm? 73.67 11.74 4.63 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.222 0.609 . . . . 3.39 110.285 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -103.37 -171.71 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.578 -0.283 . . . . 1.87 111.27 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 20.7 ttmt -64.86 -25.43 67.89 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.939 -0.304 . . . . 1.93 110.826 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.73 -53.83 34.0 Favored Glycine 0 CA--C 1.505 -0.546 0 CA-C-O 121.564 0.536 . . . . 0.47 112.407 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -76.04 -38.65 56.95 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.288 -0.956 . . . . 2.44 110.831 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.597 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 25.0 tp -60.98 -47.99 83.88 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.354 -0.839 . . . . 1.18 109.033 175.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HG3' HD13 ' A' ' 54' ' ' ILE . 4.4 ttpm? -54.25 -50.53 67.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.68 . . . . 2.4 110.53 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 8.7 tt0 -53.45 -59.42 4.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.917 -0.583 . . . . 2.62 110.492 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.55 -51.93 63.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 120.942 0.401 . . . . 1.11 110.848 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 84.5 mt -63.62 -47.82 79.8 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.61 0.596 . . . . 1.18 112.61 -173.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 32.5 p -64.5 -33.23 75.42 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.677 0.251 . . . . 1.64 111.677 -174.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -96.17 -37.13 10.7 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.404 0.52 . . . . 2.17 112.404 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.459 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 59.6 mm-40 -90.34 -47.01 8.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.126 -0.23 . . . . 1.67 111.459 -170.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.27 30.31 6.53 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.396 0.617 . . . . 2.07 110.573 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.518 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -58.05 -24.06 56.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.069 -0.969 . . . . 1.25 111.814 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -98.87 -5.17 31.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.871 -0.604 . . . . 2.69 111.322 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.25 -62.39 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.45 0.643 . . . . 1.19 110.987 -170.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.9 mt -80.68 131.32 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.313 -0.858 . . . . 1.14 110.399 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.67 30.88 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.219 0.325 . . . . 2.14 110.702 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.438 ' C ' ' H ' ' A' ' 49' ' ' LYS . 4.0 m-20 44.54 41.43 4.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.713 -0.676 . . . . 1.62 112.023 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.3 tp -65.41 -4.37 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 122.048 0.928 . . . . 1.19 110.377 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -82.02 -18.33 43.68 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.773 -1.103 . . . . 1.76 109.792 179.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.06 127.55 33.67 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.292 -0.867 . . . . 1.58 110.759 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.31 -23.85 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.625 -0.716 . . . . 1.51 109.882 178.483 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.03 74.97 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.969 -0.752 . . . . 1.33 108.969 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 57' ' ' ILE . 42.4 t -71.96 -45.83 62.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.742 -1.117 . . . . 1.23 109.428 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.49 HD13 ' HG3' ' A' ' 34' ' ' LYS . 95.9 mt -60.08 -42.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.091 -0.959 . . . . 1.1 111.305 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.9 t70 -63.79 -48.36 77.2 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.949 -0.569 . . . . 1.53 109.999 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -47.87 -45.84 30.79 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.728 -0.669 . . . . 1.77 111.113 175.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 mm -73.31 -52.82 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 116.333 -0.394 . . . . 1.62 110.894 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -50.73 -48.55 58.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.551 -0.749 . . . . 2.59 110.79 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mm-40 -64.42 -30.53 71.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.224 -0.898 . . . . 2.08 110.657 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.99 75.99 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.908 -0.663 . . . . 0.56 112.369 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -93.6 -43.15 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.148 -0.686 . . . . 1.14 109.148 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -79.75 73.84 6.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.011 -0.995 . . . . 1.4 110.206 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.46 -16.02 60.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.342 -0.845 . . . . 1.46 110.199 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.33 -20.23 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.437 -0.801 . . . . 3.54 110.414 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 62.97 37.28 11.98 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.919 -1.037 . . . . 3.2 111.141 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -107.67 -2.65 19.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.495 . . . . 2.13 110.761 -175.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 68.15 41.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.358 -0.837 . . . . 2.02 111.718 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -151.75 117.87 5.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.074 -0.512 . . . . 2.47 110.228 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -101.51 125.22 55.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.443 0.639 . . . . 2.42 111.22 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -82.9 -175.59 5.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.763 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -64.46 -30.0 71.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.754 0.312 . . . . 2.97 110.177 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.57 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 33.1 tt0 -67.18 -40.39 86.58 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.529 0.68 . . . . 2.16 110.62 175.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -76.55 -30.21 57.0 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.391 0.615 . . . . 1.99 109.975 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.599 ' O ' HG21 ' A' ' 78' ' ' VAL . 58.4 t80 -72.05 -20.99 61.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.944 -0.571 . . . . 2.55 109.574 172.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.57 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.6 OUTLIER -66.65 -44.29 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.652 -0.704 . . . . 1.31 109.216 177.279 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.516 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.1 p -65.71 -32.03 73.36 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.736 -0.666 . . . . 1.27 110.464 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.501 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.2 tm? -57.4 -45.39 84.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.954 0.407 . . . . 1.78 109.986 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.599 HG21 ' O ' ' A' ' 74' ' ' PHE . 13.4 t -67.17 -29.03 44.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 116.011 -0.54 . . . . 1.15 110.062 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -62.67 -44.37 96.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.37 0.605 . . . . 1.1 109.711 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -58.71 -47.91 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.356 -0.838 . . . . 1.09 109.851 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' B' ' 8' ' ' LEU . . . -70.13 -33.84 72.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.025 -0.989 . . . . 1.0 112.4 -173.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 80.0 mt -66.65 -41.43 88.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.818 0.342 . . . . 1.1 110.797 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.609 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 10.7 tttt -76.94 -30.82 56.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.374 -0.93 . . . . 2.26 110.492 176.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . . . -54.63 -25.88 29.41 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.81 -0.356 . . . . 1.24 111.104 166.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.01 -53.54 5.74 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.05 0.389 . . . . 1.1 112.05 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.517 ' C ' ' H ' ' A' ' 88' ' ' HIS . 28.2 t-80 -82.5 -58.92 2.71 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.359 0.599 . . . . 3.4 110.702 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.574 ' C ' ' H ' ' A' ' 89' ' ' THR . 34.9 t80 -74.97 22.96 0.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.049 -0.978 . . . . 2.64 110.503 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.517 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.5 p-80 -49.46 13.58 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.14 1.533 . . . . 4.09 115.14 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.574 ' H ' ' C ' ' A' ' 87' ' ' TYR . 6.0 t -74.81 -38.53 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.219 -1.03 . . . . 1.46 108.219 174.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 168.09 78.62 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 114.618 -1.174 . . . . 4.28 109.03 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.74 ' HE2' ' C ' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -52.16 -52.56 51.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.135 -1.061 . . . . 3.47 108.135 173.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.548 -0.751 . . . . 7.09 109.77 179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.272 -0.27 . . . . 6.8 110.272 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -172.98 21.1 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.244 0.545 . . . . 4.76 110.072 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.418 ' HZ3' ' HB3' ' B' ' 3' ' ' LYS . 0.6 OUTLIER -75.95 -2.88 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 6.35 111.908 -175.321 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.452 HD22 ' OE1' ' A' ' 40' ' ' GLU . 4.0 mm? -71.63 -17.09 62.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.693 0.282 . . . . 4.87 110.437 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.24 -42.52 81.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.911 -0.586 . . . . 3.1 109.636 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.36 -25.92 64.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.655 -0.702 . . . . 2.51 111.01 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.405 ' O ' HG12 ' B' ' 11' ' ' ILE . 19.8 m-70 -78.74 -50.61 11.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.245 -0.434 . . . . 2.85 110.047 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 84.8 mt -62.58 -60.24 3.8 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.517 0.511 . . . . 1.1 110.693 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.92 -32.58 72.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.322 -0.853 . . . . 2.41 110.647 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.21 92.59 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.971 -0.559 . . . . 0.48 112.521 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.472 ' O ' HG21 ' B' ' 14' ' ' ILE . 29.0 mm -67.04 -41.82 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 1.84 109.596 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.83 -45.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.144 -0.935 . . . . 1.22 111.311 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -64.63 -40.18 95.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 1.95 111.345 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.472 HG21 ' O ' ' B' ' 11' ' ' ILE . 9.9 tp -70.47 -28.02 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.904 -0.318 . . . . 2.55 110.758 -177.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.405 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.8 t80 -70.55 -35.97 73.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.572 -0.529 . . . . 3.26 109.572 175.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.5 -19.86 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 2.85 110.209 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -74.98 -59.71 2.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 3.5 110.736 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -78.64 -36.39 44.06 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.972 0.36 . . . . 6.62 111.972 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -99.23 172.89 7.07 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.652 -0.499 . . . . 3.15 109.652 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 t 54.92 44.15 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.919 0.866 . . . . 4.57 108.988 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -134.82 84.77 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.308 -0.86 . . . . 7.92 110.653 -170.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm 71.92 154.39 0.14 Allowed 'General case' 0 CA--C 1.533 0.318 0 O-C-N 123.877 0.736 . . . . 9.06 111.249 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.24 124.88 4.93 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.826 -0.702 . . . . 5.77 112.329 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -68.01 87.75 0.26 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.991 -0.374 . . . . 8.99 109.991 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 56.67 38.5 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.455 0.645 . . . . 8.34 110.273 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -104.89 -18.29 14.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 5.62 110.128 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' B' ' 28' ' ' LEU . 0.8 OUTLIER -91.2 -174.78 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.697 -0.683 . . . . 4.38 110.505 176.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' B' ' 27' ' ' THR . 3.9 mm? 73.58 11.65 4.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.113 0.565 . . . . 3.39 110.22 -176.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -103.42 -171.78 2.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.583 -0.281 . . . . 1.88 111.261 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.463 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 20.7 ttmt -64.96 -25.36 67.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.912 -0.315 . . . . 1.93 110.756 -177.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.62 -53.81 33.8 Favored Glycine 0 CA--C 1.504 -0.606 0 C-N-CA 121.118 -0.563 . . . . 0.46 112.5 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -76.16 -38.38 56.74 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.209 -0.996 . . . . 2.43 110.851 -172.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.603 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.9 tp -61.17 -47.89 84.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.301 -0.863 . . . . 1.18 109.222 175.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.483 ' HG3' HD13 ' B' ' 54' ' ' ILE . 4.4 ttpm? -54.1 -50.81 66.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 2.4 110.569 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 8.7 tt0 -53.21 -59.54 4.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 2.62 110.451 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.59 -52.06 63.35 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.384 0.428 . . . . 1.11 110.822 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 84.4 mt -63.38 -48.05 79.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.683 0.623 . . . . 1.18 112.683 -173.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' B' ' 42' ' ' ALA . 31.4 p -64.38 -33.06 74.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.676 0.274 . . . . 1.64 111.716 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.4 ptmm? -96.36 -37.11 10.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.415 0.524 . . . . 2.17 112.415 -176.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.455 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 59.9 mm-40 -90.38 -46.95 8.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.543 0.211 . . . . 1.67 111.5 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.54 30.43 6.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.287 0.565 . . . . 2.07 110.501 -177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.531 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -58.12 -24.08 57.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.103 -0.953 . . . . 1.25 111.896 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.75 -5.22 31.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.846 -0.615 . . . . 2.69 111.304 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.17 -62.14 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.478 0.656 . . . . 1.19 111.069 -170.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.7 mt -81.06 131.09 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.325 -0.852 . . . . 1.13 110.453 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.408 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.81 31.55 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.05 0.219 . . . . 2.14 110.831 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.408 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.0 m-20 44.69 41.48 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.846 0.716 . . . . 1.62 112.002 177.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.3 tp -65.61 -4.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.086 0.946 . . . . 1.19 110.276 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -81.87 -18.3 44.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.743 -1.117 . . . . 1.76 109.804 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.14 127.2 33.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.31 -0.859 . . . . 1.59 110.663 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.463 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.01 -23.92 65.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.585 -0.734 . . . . 1.5 109.934 178.094 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.05 75.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.005 -0.739 . . . . 1.32 109.005 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.458 ' O ' HG12 ' B' ' 57' ' ' ILE . 42.5 t -72.15 -45.86 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.73 -1.123 . . . . 1.23 109.464 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.483 HD13 ' HG3' ' B' ' 34' ' ' LYS . 95.9 mt -59.9 -41.98 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.067 -0.969 . . . . 1.1 111.22 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 22.3 t70 -63.92 -48.14 77.75 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.981 -0.554 . . . . 1.53 109.918 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -48.36 -45.35 35.43 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.671 -0.695 . . . . 1.77 111.096 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 23.4 mm -73.64 -53.0 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 116.19 -0.459 . . . . 1.62 110.922 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.71 -48.73 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 2.59 110.842 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.0 mm-40 -64.2 -30.51 71.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.241 -0.89 . . . . 2.08 110.525 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -25.07 75.9 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.822 -0.704 . . . . 0.56 112.478 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.4 OUTLIER -93.5 -42.96 8.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.14 -0.689 . . . . 1.14 109.14 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -79.92 73.85 6.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.063 -0.971 . . . . 1.4 110.312 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.33 -16.05 60.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.422 -0.808 . . . . 1.46 110.145 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.22 -20.17 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.455 -0.793 . . . . 3.55 110.226 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 63.02 37.03 12.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.076 -0.966 . . . . 3.2 111.085 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -107.54 -2.55 20.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.174 0.512 . . . . 2.14 110.847 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 68.26 41.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.355 -0.839 . . . . 2.01 111.784 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 11.1 pt20 -151.51 117.89 5.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 2.47 110.233 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 m -101.54 125.11 55.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.455 0.645 . . . . 2.42 111.201 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.81 -175.35 5.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 2.02 109.792 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.57 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.153 -0.314 . . . . 2.98 110.153 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.569 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 33.3 tt0 -67.16 -40.8 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.584 0.707 . . . . 2.16 110.583 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.15 -30.24 58.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.801 -0.636 . . . . 1.99 109.931 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.586 ' O ' HG21 ' B' ' 78' ' ' VAL . 57.7 t80 -71.96 -21.13 61.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.953 -0.567 . . . . 2.55 109.552 172.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.569 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.6 OUTLIER -66.59 -44.12 90.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 1.32 109.202 177.33 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.532 ' O ' HD13 ' B' ' 80' ' ' ILE . 0.9 OUTLIER -65.85 -31.94 73.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.743 -0.662 . . . . 1.28 110.49 173.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.2 tm? -57.5 -45.26 85.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.92 -0.4 . . . . 1.78 109.92 176.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.586 HG21 ' O ' ' B' ' 74' ' ' PHE . 13.3 t -67.32 -29.08 44.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.153 -0.476 . . . . 1.15 109.978 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -62.56 -44.5 96.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.357 0.598 . . . . 1.11 109.689 174.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.532 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -58.67 -47.81 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.234 -0.894 . . . . 1.09 109.942 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.515 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . . . -70.3 -33.69 71.85 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.003 -0.999 . . . . 1.0 112.465 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 80.1 mt -66.74 -41.45 87.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.752 0.311 . . . . 1.1 110.711 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.61 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 10.6 tttt -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.355 -0.938 . . . . 2.26 110.401 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . . . -54.51 -26.0 28.96 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.79 -0.364 . . . . 1.24 111.026 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.04 -53.04 6.11 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.173 0.435 . . . . 1.1 112.173 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.533 ' C ' ' H ' ' B' ' 88' ' ' HIS . 28.6 t-80 -82.84 -58.81 2.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.208 0.528 . . . . 3.39 110.833 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.576 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.5 t80 -75.13 22.85 0.11 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.186 0.994 . . . . 2.64 110.518 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.533 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.5 p-80 -49.31 13.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.317 1.599 . . . . 4.09 115.317 -177.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.576 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.9 t -74.67 -38.6 62.38 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.313 -0.995 . . . . 1.47 108.313 174.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 168.2 78.63 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 114.531 -1.213 . . . . 4.28 109.034 175.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.746 ' C ' ' HE2' ' B' ' 91' ' ' LYS . 0.6 OUTLIER -52.29 -52.68 51.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.12 -1.067 . . . . 3.47 108.12 173.71 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.244 0.801 0 O-C-N 123.939 0.775 . . . . 7.08 109.948 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 57.2 ttp . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.631 -0.137 . . . . 6.79 110.631 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 p 49.49 45.52 23.94 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.336 0.654 . . . . 4.76 112.409 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 1' ' ' MET . 29.3 mtpp -117.08 14.92 15.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.421 . . . . 6.36 110.229 178.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.31 126.38 27.29 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.659 -0.701 . . . . 4.86 110.132 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.581 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.7 pt-20 45.84 19.25 0.05 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.397 1.079 . . . . 3.1 113.289 -176.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -33.15 72.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.297 0.57 . . . . 2.51 110.178 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.521 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 63.9 m-70 -82.99 -30.94 27.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.792 -0.64 . . . . 2.85 110.594 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 87.6 mt -74.0 -60.6 2.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.166 0.508 . . . . 1.1 110.78 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.06 -22.18 65.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.577 -0.738 . . . . 2.41 109.128 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.71 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -62.52 -46.93 92.77 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.638 -0.71 . . . . 0.48 111.687 172.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.483 HG23 HG22 ' A' ' 78' ' ' VAL . 22.4 mm -62.48 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.217 0.532 . . . . 1.84 110.01 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.513 ' CG1' ' HB2' ' B' ' 86' ' ' HIS . 33.9 t -49.92 -42.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.232 -0.894 . . . . 1.22 111.101 171.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -78.73 -18.03 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.684 . . . . 1.95 111.196 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.71 HG12 ' O ' ' A' ' 10' ' ' GLY . 48.6 mm -74.7 -36.56 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.066 0.46 . . . . 2.55 109.876 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -64.63 -37.37 87.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.272 -1.01 . . . . 3.26 108.272 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -69.98 -20.47 63.3 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.76 -1.109 . . . . 2.85 110.765 174.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.493 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 29.7 tt0 -64.84 -48.7 73.38 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.699 -0.482 . . . . 3.5 109.699 178.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 52.9 t80 -68.59 -59.3 3.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 119.815 -0.754 . . . . 6.61 110.127 169.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -91.0 87.77 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.068 0.461 . . . . 3.15 110.358 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.0 -25.41 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.937 -0.574 . . . . 4.58 110.937 -177.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -66.96 125.78 27.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 7.92 110.405 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' HZ3' ' A' ' 22' ' ' LYS . 2.9 mmmp? -81.78 100.31 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.256 0.551 . . . . 9.05 110.766 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.14 -158.16 8.89 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.683 -0.69 . . . . 5.75 111.511 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -134.03 -33.85 1.01 Allowed 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.646 -0.326 . . . . 8.99 110.416 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -85.87 55.78 3.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.651 0.738 . . . . 8.34 109.432 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.06 112.34 24.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.504 -0.771 . . . . 5.62 110.636 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 28' ' ' LEU . 2.9 t -150.99 -59.93 0.18 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.679 -0.691 . . . . 4.37 110.361 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' H ' HG23 ' A' ' 27' ' ' THR . 96.1 mt 58.43 177.95 0.07 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.679 0.752 . . . . 3.39 112.182 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 p -104.88 -178.8 3.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.552 -0.749 . . . . 1.87 111.078 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.474 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 3.0 ttmp? -48.85 -20.04 0.45 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.527 1.306 . . . . 1.93 114.527 -166.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.52 -42.11 26.41 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 114.474 0.55 . . . . 0.47 114.474 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -82.34 -42.34 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.065 0.432 . . . . 2.44 111.565 -173.782 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 14.5 tp -58.87 -42.43 89.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.389 -0.597 . . . . 1.18 109.389 175.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HA ' HD11 ' A' ' 54' ' ' ILE . 27.8 ttpp -56.48 -46.19 80.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.015 -0.993 . . . . 2.4 110.658 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 35.1 mt-30 -63.56 -61.77 2.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.509 -0.314 . . . . 2.62 110.784 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD13 HG21 ' A' ' 14' ' ' ILE . 10.5 tt -48.31 -50.11 31.42 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.586 0.554 . . . . 1.11 111.084 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.1 mt -65.68 -47.26 76.06 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.378 0.51 . . . . 1.18 112.378 -175.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.412 HG21 ' HA ' ' A' ' 49' ' ' LYS . 34.7 p -67.64 -30.14 69.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.719 0.266 . . . . 1.64 111.719 -175.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.7 ptmm? -96.59 -37.94 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.326 0.491 . . . . 2.17 112.326 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 13.5 mm-40 -94.47 -36.09 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 1.67 111.214 -170.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 37' ' ' LEU . 26.4 mt -116.94 29.43 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.373 0.606 . . . . 2.07 109.632 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.1 -34.78 45.61 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.529 -1.214 . . . . 1.25 113.254 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -99.0 -10.78 22.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.783 0.325 . . . . 2.69 111.488 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.603 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -91.19 -65.88 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.593 0.711 . . . . 1.19 110.513 -168.329 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.4 mt -73.32 132.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 114.668 -1.151 . . . . 1.14 109.227 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 125.84 25.26 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 123.139 0.274 . . . . 2.14 110.583 -174.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 47.84 39.99 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.659 -0.701 . . . . 1.62 110.911 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.5 tp -60.94 -9.46 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.76 0.791 . . . . 1.19 111.073 -176.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.412 ' HA ' HG21 ' A' ' 38' ' ' THR . 13.7 mmmm -81.14 -7.89 59.65 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.192 -0.913 . . . . 1.76 110.522 -178.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' O ' HG13 ' A' ' 54' ' ' ILE . 3.1 t70 -95.59 132.47 40.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.825 -0.625 . . . . 1.58 110.185 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -22.34 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 1.51 110.051 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.27 -32.8 73.23 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.634 0.73 . . . . 1.33 109.067 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.482 ' O ' HD11 ' A' ' 57' ' ' ILE . 21.6 t -80.61 -46.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.561 -1.2 . . . . 1.23 109.659 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 34' ' ' LYS . 47.5 mt -58.18 -36.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 1.1 110.812 175.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -62.79 -52.87 61.51 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 115.543 -0.753 . . . . 1.53 109.135 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 41.9 mm-40 -47.62 -47.43 29.0 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.381 -0.827 . . . . 1.77 111.555 176.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.604 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.45 -59.22 4.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 1.62 110.935 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 27.4 t80 -59.56 -44.74 93.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.18 -0.463 . . . . 2.59 110.52 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.11 -26.4 68.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.37 -0.832 . . . . 2.08 110.24 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.7 63.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.56 112.266 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.61 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mt -87.61 -46.89 9.14 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.897 -0.779 . . . . 1.14 108.897 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.96 73.78 1.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.683 -1.144 . . . . 1.4 110.514 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.13 63.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.083 -0.962 . . . . 1.46 110.682 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -73.37 -19.68 60.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.65 -0.704 . . . . 3.54 110.286 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 61.61 38.6 15.31 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 114.89 -1.05 . . . . 3.2 111.717 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -118.05 8.1 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.292 0.568 . . . . 2.13 110.183 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 67.88 44.17 1.6 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.959 -1.019 . . . . 2.02 110.906 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -137.16 118.01 14.15 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.938 0.399 . . . . 2.47 110.957 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 p -91.58 108.88 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.285 0.564 . . . . 2.42 111.23 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.611 ' HB2' ' OE1' ' A' ' 73' ' ' GLU . 4.7 m-20 -81.98 179.14 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.801 -0.562 . . . . 2.02 109.755 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -60.37 -32.55 71.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.714 -0.394 . . . . 2.97 110.324 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.427 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.7 tt0 -70.01 -43.11 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 2.16 111.067 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.611 ' OE1' ' HB2' ' A' ' 70' ' ' ASP . 3.7 mp0 -63.48 -41.41 98.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 1.99 109.524 175.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.2 t80 -65.75 -28.67 69.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.73 . . . . 2.55 110.159 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.507 HG12 ' HB2' ' B' ' 82' ' ' LEU . 1.3 mt -65.17 -39.05 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 1.31 109.255 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 27.8 m -64.19 -40.53 96.27 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.876 -1.056 . . . . 1.27 109.673 176.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.473 ' O ' HD22 ' A' ' 77' ' ' LEU . 1.4 tm? -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 1.78 110.378 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 21.9 t -62.81 -33.45 60.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 1.15 109.941 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 76' ' ' SER . . . -62.45 -48.25 80.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.0 -0.545 . . . . 1.1 110.175 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.444 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.06 -43.84 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.358 -0.837 . . . . 1.09 110.364 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.457 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -73.82 -30.25 62.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.197 -0.91 . . . . 1.0 111.923 -174.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 48.5 mt -64.43 -42.89 95.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.124 0.488 . . . . 1.1 109.69 173.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -61.07 -46.67 89.72 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 115.618 -0.719 . . . . 2.26 109.568 173.31 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.46 -22.35 54.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.0 -0.545 . . . . 1.24 111.919 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -81.06 -59.87 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.306 0.484 . . . . 1.1 112.306 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.517 ' HB2' ' CG1' ' B' ' 12' ' ' VAL . 78.5 t60 -86.29 -36.35 19.37 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.138 0.494 . . . . 3.4 111.26 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.602 ' C ' ' H ' ' A' ' 89' ' ' THR . 35.7 t80 -86.02 23.44 1.5 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.44 -0.8 . . . . 2.64 108.987 174.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.64 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 16.8 t-80 -46.61 19.2 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 126.651 1.981 . . . . 4.09 115.2 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.602 ' H ' ' C ' ' A' ' 87' ' ' TYR . 11.6 t -93.84 21.14 6.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.691 -0.855 . . . . 1.46 108.691 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 89' ' ' THR . 16.5 m170 80.09 88.79 0.05 Allowed 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 114.039 -1.437 . . . . 4.28 108.862 -174.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' HG3' ' HB3' ' A' ' 83' ' ' LYS . 2.7 ttpp -52.22 -15.05 0.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.314 -1.312 . . . . 3.47 111.386 173.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.245 0.861 0 C-N-CA 123.388 0.675 . . . . 7.09 110.205 178.586 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' B' ' 3' ' ' LYS . 56.5 ttp . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.459 0.171 . . . . 6.8 110.554 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 29.7 p 49.97 45.0 25.56 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.397 0.679 . . . . 4.76 112.391 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' B' ' 1' ' ' MET . 29.2 mtpp -116.7 15.0 15.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 6.35 110.185 179.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.21 126.24 26.65 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.683 -0.69 . . . . 4.87 110.12 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.603 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.7 pt-20 45.91 19.39 0.06 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.432 1.093 . . . . 3.1 113.193 -176.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -33.25 73.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.477 0.656 . . . . 2.51 110.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.524 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 63.6 m-70 -82.94 -31.0 27.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.803 -0.635 . . . . 2.85 110.604 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 87.5 mt -73.9 -60.68 2.14 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.08 0.467 . . . . 1.1 110.725 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.99 -22.36 65.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.532 -0.758 . . . . 2.41 109.133 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.696 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -62.19 -47.22 91.24 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.551 -0.75 . . . . 0.48 111.59 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.48 HG23 HG22 ' B' ' 78' ' ' VAL . 22.5 mm -62.29 -45.42 98.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.235 0.54 . . . . 1.84 110.043 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.517 ' CG1' ' HB2' ' A' ' 86' ' ' HIS . 34.7 t -50.06 -42.53 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.162 -0.927 . . . . 1.22 111.18 171.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.75 -17.95 55.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 1.95 111.327 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.696 HG12 ' O ' ' B' ' 10' ' ' GLY . 48.8 mm -74.74 -36.74 41.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.119 0.485 . . . . 2.55 109.867 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.5 -37.62 88.18 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.238 -1.023 . . . . 3.26 108.238 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -69.76 -20.59 63.49 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.651 -1.159 . . . . 2.85 110.887 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 29.8 tt0 -64.56 -49.11 72.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.608 -0.516 . . . . 3.5 109.608 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' B' ' 32' ' ' GLU . 53.7 t80 -68.23 -59.17 3.41 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.844 -0.742 . . . . 6.62 110.146 169.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -90.95 87.51 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 3.15 110.393 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 p -76.14 -24.89 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 4.57 111.065 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -67.24 125.78 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 7.92 110.324 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.412 ' HZ3' ' HB3' ' B' ' 22' ' ' LYS . 2.9 mmmp? -81.57 100.27 9.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.135 0.493 . . . . 9.06 110.779 -178.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.73 -157.57 8.77 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.395 -0.682 . . . . 5.77 111.395 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -134.78 -33.64 0.94 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.81 0.338 . . . . 8.99 110.474 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -85.87 56.22 3.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.583 0.706 . . . . 8.34 109.275 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -98.57 112.3 24.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.537 -0.756 . . . . 5.62 110.718 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.477 HG23 ' H ' ' B' ' 28' ' ' LEU . 2.8 t -151.21 -59.94 0.17 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.638 -0.71 . . . . 4.38 110.324 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.477 ' H ' HG23 ' B' ' 27' ' ' THR . 95.6 mt 58.32 177.99 0.06 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.739 0.78 . . . . 3.39 112.204 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -104.9 -178.79 3.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.522 -0.763 . . . . 1.88 111.098 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.467 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 3.0 ttmp? -48.66 -20.12 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.575 1.324 . . . . 1.93 114.575 -166.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.63 -42.2 27.39 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 114.403 0.521 . . . . 0.46 114.403 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.503 ' HB3' ' CE1' ' B' ' 18' ' ' TYR . 0.0 OUTLIER -82.37 -42.21 18.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.011 0.405 . . . . 2.43 111.551 -173.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.5 tp -58.89 -42.28 89.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.317 0.58 . . . . 1.18 109.487 174.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' B' ' 54' ' ' ILE . 27.7 ttpp -56.72 -46.07 81.52 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.077 -0.965 . . . . 2.4 110.755 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.634 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 35.2 mt-30 -63.61 -61.71 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.428 -0.351 . . . . 2.62 110.686 174.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.434 HD13 HG21 ' B' ' 14' ' ' ILE . 10.5 tt -48.31 -50.22 30.96 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.634 0.584 . . . . 1.11 111.121 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 80.6 mt -65.52 -47.34 76.27 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.442 0.534 . . . . 1.18 112.442 -175.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 35.1 p -67.69 -29.87 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.796 0.295 . . . . 1.64 111.796 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.6 ptmm? -96.75 -37.94 10.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.347 0.499 . . . . 2.17 112.347 -177.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.446 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 14.4 mm-40 -94.52 -35.99 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.923 0.392 . . . . 1.67 111.16 -170.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' B' ' 37' ' ' LEU . 26.4 mt -116.83 29.37 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.505 0.669 . . . . 2.07 109.717 -176.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.21 -34.24 44.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.48 -1.237 . . . . 1.25 113.311 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -99.3 -10.99 21.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.739 0.304 . . . . 2.69 111.585 -173.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.581 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -91.02 -65.83 0.98 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.553 0.692 . . . . 1.19 110.5 -168.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.545 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -73.39 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 114.602 -1.181 . . . . 1.13 109.171 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 126.0 25.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 123.147 0.279 . . . . 2.14 110.586 -174.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 47.82 40.02 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.612 -0.722 . . . . 1.62 110.948 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.545 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.5 tp -61.01 -9.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.887 0.851 . . . . 1.19 111.063 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -81.16 -7.98 59.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.145 -0.934 . . . . 1.76 110.333 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.439 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.8 t70 -95.46 132.33 40.65 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.912 -0.585 . . . . 1.59 110.235 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -22.71 65.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.918 -0.583 . . . . 1.5 109.943 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.26 -32.55 72.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.742 0.782 . . . . 1.32 109.125 175.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.474 ' O ' HD11 ' B' ' 57' ' ' ILE . 21.5 t -80.62 -46.73 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.684 -1.143 . . . . 1.23 109.647 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' B' ' 34' ' ' LYS . 47.7 mt -57.88 -36.4 55.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.685 -0.689 . . . . 1.1 110.852 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.8 -52.88 61.45 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.438 -0.801 . . . . 1.53 109.134 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -47.73 -47.51 30.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.329 -0.85 . . . . 1.77 111.492 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.597 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -65.33 -59.09 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.62 110.95 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 27.3 t80 -59.6 -44.78 93.28 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.072 0.463 . . . . 2.59 110.557 -172.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.02 -26.4 68.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.331 -0.849 . . . . 2.08 110.217 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -26.71 63.56 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.957 -0.64 . . . . 0.56 112.192 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.617 ' O ' ' HG3' ' B' ' 73' ' ' GLU . 1.1 mt -87.61 -46.68 9.33 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.948 -0.76 . . . . 1.14 108.948 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.25 74.14 1.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.637 -1.165 . . . . 1.4 110.547 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.16 -21.49 63.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.146 -0.934 . . . . 1.46 110.679 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -73.0 -19.82 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 3.55 110.288 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 61.78 38.34 14.96 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 114.985 -1.007 . . . . 3.2 111.82 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -117.83 7.62 12.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.341 0.591 . . . . 2.14 110.161 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 68.33 44.12 1.39 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.055 -0.975 . . . . 2.01 110.829 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -137.06 118.13 14.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.806 0.336 . . . . 2.47 110.821 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.61 109.0 20.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.267 0.556 . . . . 2.42 111.168 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.623 ' HB2' ' OE1' ' B' ' 73' ' ' GLU . 4.9 m-20 -81.95 179.14 7.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.846 -0.533 . . . . 2.02 109.827 172.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -60.33 -32.51 71.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.671 -0.412 . . . . 2.98 110.378 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.434 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.4 tt0 -70.24 -42.9 71.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 2.16 110.97 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.623 ' OE1' ' HB2' ' B' ' 70' ' ' ASP . 3.3 mp0 -63.6 -41.54 98.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.329 0.585 . . . . 1.99 109.527 175.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.522 ' O ' HG23 ' B' ' 78' ' ' VAL . 79.2 t80 -65.67 -28.67 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.529 -0.759 . . . . 2.55 110.199 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.492 HG12 ' HB2' ' A' ' 82' ' ' LEU . 1.3 mt -65.17 -39.15 84.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.473 -0.785 . . . . 1.32 109.361 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 25.5 m -63.95 -40.59 96.77 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.792 -1.095 . . . . 1.28 109.664 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.473 ' O ' HD22 ' B' ' 77' ' ' LEU . 1.4 tm? -57.12 -45.97 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.78 110.329 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.65 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.0 t -62.83 -33.41 60.1 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.884 -0.413 . . . . 1.15 109.884 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' B' ' 76' ' ' SER . . . -62.52 -48.04 81.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.257 0.551 . . . . 1.11 110.132 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.443 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.23 -43.9 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.371 -0.831 . . . . 1.09 110.287 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -73.82 -30.2 62.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.216 -0.902 . . . . 1.0 111.918 -174.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 47.6 mt -64.54 -42.8 95.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.575 -0.528 . . . . 1.1 109.575 173.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.0 OUTLIER -61.06 -46.71 89.56 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.665 -0.698 . . . . 2.26 109.537 173.314 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.45 -22.24 53.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.988 -0.551 . . . . 1.24 111.995 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.617 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -81.16 -59.64 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.378 0.51 . . . . 1.1 112.378 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 78.4 t60 -86.52 -36.32 19.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.417 0.627 . . . . 3.39 111.349 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.586 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.7 t80 -86.03 23.57 1.47 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.45 -0.795 . . . . 2.64 108.989 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.617 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 16.7 t-80 -46.78 19.31 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 126.682 1.993 . . . . 4.09 115.208 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.586 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.6 t -94.06 21.29 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.807 -0.812 . . . . 1.47 108.807 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' B' ' 89' ' ' THR . 16.5 m170 79.93 88.93 0.05 Allowed 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 113.877 -1.51 . . . . 4.28 108.88 -175.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' B' ' 91' ' ' LYS . 2.5 ttpp -52.18 -15.13 0.52 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.316 -1.311 . . . . 3.47 111.371 173.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 . . . . . 0 C--O 1.248 1.014 0 C-N-CA 123.438 0.695 . . . . 7.08 110.214 178.654 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.746 0.308 . . . . 6.79 110.243 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 m -142.81 -49.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.915 -0.314 . . . . 4.76 111.394 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -78.51 -4.89 50.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.439 . . . . 6.36 111.2 -173.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' C ' ' H ' ' A' ' 6' ' ' GLU . 30.9 tp -84.96 151.21 24.38 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.341 -0.615 . . . . 4.86 109.341 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -73.58 32.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.315 0.579 . . . . 3.1 111.37 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' H ' ' C ' ' A' ' 4' ' ' LEU . 9.0 tp10 -65.63 -18.37 65.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.343 -0.844 . . . . 2.51 109.647 176.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.57 ' O ' HG13 ' A' ' 11' ' ' ILE . 55.7 m-70 -62.82 -57.86 9.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.805 -0.813 . . . . 2.85 108.805 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 31.1 mt -74.54 -56.05 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.843 -1.072 . . . . 1.1 111.256 -175.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.03 -21.99 66.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 2.41 110.612 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.5 -40.67 53.7 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.86 -0.686 . . . . 0.48 111.757 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 7' ' ' HIS . 76.2 mt -69.1 -37.98 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.497 0.665 . . . . 1.84 110.028 177.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.91 -35.68 75.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.541 -0.754 . . . . 1.22 110.607 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.68 -40.83 69.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 1.95 111.284 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 11' ' ' ILE . 33.6 pt -66.77 -29.1 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.265 -0.574 . . . . 2.55 110.497 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.53 -35.36 78.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.222 -0.659 . . . . 3.26 109.222 174.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -66.98 -21.42 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.636 -0.711 . . . . 2.85 110.773 174.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.66 -53.75 6.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.415 -0.357 . . . . 3.5 111.299 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -83.1 -34.29 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.511 0.56 . . . . 6.61 112.511 -171.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.1 t -80.71 -73.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.321 . . . . 3.15 110.839 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 m -120.51 -131.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.459 -0.337 . . . . 4.58 110.922 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -118.56 -156.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.097 -0.705 . . . . 7.92 109.097 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -80.51 48.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.308 0.575 . . . . 9.05 110.835 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.14 176.16 34.12 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.847 -0.615 . . . . 5.75 111.85 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -92.45 -27.14 17.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.912 0.356 . . . . 8.99 111.076 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 75.5 m-85 -131.42 -163.04 1.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.522 -0.308 . . . . 8.34 110.613 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 49.9 m-20 78.18 130.78 0.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.251 0.969 . . . . 5.62 111.822 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.424 HG22 ' HA ' ' A' ' 70' ' ' ASP . 8.9 t -179.74 148.1 0.31 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.928 -1.033 . . . . 4.37 108.909 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' HB2' ' OE1' ' A' ' 32' ' ' GLU . 90.8 mt -125.54 -138.34 0.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.635 0.606 . . . . 3.39 112.635 -171.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -94.74 -170.89 2.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.367 0.877 . . . . 1.87 113.367 -166.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 10.5 ttmm -47.41 -37.97 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.793 1.035 . . . . 1.93 113.793 -172.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.29 -57.77 4.82 Favored Glycine 0 N--CA 1.465 0.615 0 N-CA-C 114.975 0.75 . . . . 0.47 114.975 -172.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' OE1' ' HB2' ' A' ' 28' ' ' LEU . 2.8 pt-20 -65.14 -36.23 83.6 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.461 0.541 . . . . 2.44 112.461 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 18.1 tp -66.02 -45.03 82.99 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.783 -0.821 . . . . 1.18 108.783 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -57.72 -44.85 86.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.662 -1.154 . . . . 2.4 110.449 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 36.5 tt0 -55.03 -59.02 5.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.978 -0.555 . . . . 2.62 110.171 174.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 9.8 tt -49.6 -60.46 2.84 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.943 -0.571 . . . . 1.11 110.206 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.1 mt -53.24 -47.62 68.89 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 113.319 0.859 . . . . 1.18 113.319 -173.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.417 HG21 ' HA ' ' A' ' 49' ' ' LYS . 21.1 p -66.6 -38.18 86.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.05 0.389 . . . . 1.64 112.05 -173.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.3 ptmt -97.73 -22.9 16.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.422 0.897 . . . . 2.17 113.422 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 42.0 tp10 -102.93 -35.49 8.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.84 0.352 . . . . 1.67 111.033 -170.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.1 mt -120.0 30.25 7.11 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.574 0.702 . . . . 2.07 109.396 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.06 -36.37 50.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.387 -1.279 . . . . 1.25 113.44 -174.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.61 33.91 5.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.443 0.64 . . . . 2.69 110.626 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.456 HG21 ' CD1' ' B' ' 8' ' ' LEU . 0.2 OUTLIER -113.58 -61.65 1.71 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.747 0.784 . . . . 1.19 109.581 175.353 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.533 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 23.4 mt -85.72 137.54 20.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.492 -1.231 . . . . 1.14 109.73 -175.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.31 126.08 23.48 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.545 0.212 . . . . 2.14 110.44 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.48 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 43.26 44.33 4.52 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.506 -0.77 . . . . 1.62 112.187 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.533 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -62.01 -6.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.924 0.868 . . . . 1.19 110.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -84.53 -10.64 57.25 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.201 -0.909 . . . . 1.76 110.173 179.575 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.1 m-20 -90.85 128.7 36.83 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.615 -0.72 . . . . 1.58 111.206 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.05 -29.58 70.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.929 -1.032 . . . . 1.51 110.226 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.37 -36.69 83.52 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.581 -0.736 . . . . 1.33 109.165 177.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 32.1 t -74.71 -43.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.523 -1.217 . . . . 1.23 109.673 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 50' ' ' ASP . 29.3 mt -65.2 -36.7 78.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 114.911 -1.04 . . . . 1.1 110.873 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 34.3 t70 -64.32 -49.89 69.97 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.557 -0.747 . . . . 1.53 109.333 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.4 mm-40 -47.3 -47.13 25.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.882 -1.054 . . . . 1.77 111.048 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 86.8 mt -70.09 -53.87 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.657 -0.701 . . . . 1.62 111.397 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 17.2 t80 -55.39 -47.65 75.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 2.59 110.235 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 60.5 mm-40 -60.93 -31.05 70.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 2.08 109.987 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.49 -25.6 75.34 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.737 -0.665 . . . . 0.56 112.287 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -88.2 -50.43 6.37 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.727 -0.842 . . . . 1.14 108.727 177.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.56 73.92 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.625 -1.17 . . . . 1.4 110.83 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.03 -16.67 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.464 -0.789 . . . . 1.46 109.582 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -73.54 -18.69 61.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.989 -1.005 . . . . 3.54 110.298 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 61.42 37.96 16.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.754 -1.112 . . . . 3.2 111.444 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -109.92 -3.04 16.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.54 0.686 . . . . 2.13 109.893 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 61.64 47.38 6.45 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.721 -1.127 . . . . 2.02 110.133 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 68' ' ' GLN . 9.7 pt20 -142.82 118.73 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.671 -0.695 . . . . 2.47 110.084 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.06 106.52 12.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.39 0.614 . . . . 2.42 110.404 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 4.9 m-20 -77.64 174.52 10.83 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.318 -0.623 . . . . 2.02 109.318 172.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -62.65 -32.22 73.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.386 -0.526 . . . . 2.97 110.012 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.497 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.3 tt0 -69.92 -40.9 75.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 2.16 110.895 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 70' ' ' ASP . 3.9 mm-40 -68.85 -33.95 74.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.563 0.697 . . . . 1.99 109.343 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.496 ' O ' HG22 ' A' ' 78' ' ' VAL . 70.9 t80 -69.8 -24.08 63.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.542 -0.754 . . . . 2.55 109.933 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.566 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.2 mt -67.86 -42.17 85.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.751 -0.659 . . . . 1.31 109.679 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.54 ' O ' HD12 ' A' ' 80' ' ' ILE . 2.0 p -69.3 -28.61 66.41 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.105 -0.498 . . . . 1.27 110.394 174.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.1 tm? -58.74 -45.63 89.25 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.724 -0.472 . . . . 1.78 109.724 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.0 t -66.28 -32.0 56.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.927 -0.579 . . . . 1.15 110.073 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.52 98.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.394 0.616 . . . . 1.1 109.912 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.54 HD12 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.87 -45.59 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.119 -0.946 . . . . 1.09 110.237 174.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -77.63 -22.91 50.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 1.0 112.31 -173.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 62.6 mt -67.7 -39.94 84.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.336 0.589 . . . . 1.1 109.594 173.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.544 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 9.4 mttt -75.53 -19.85 59.08 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.764 -0.653 . . . . 2.26 110.541 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' CB ' HG12 ' A' ' 45' ' ' ILE . . . -68.9 -24.88 64.36 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.864 -0.421 . . . . 1.24 109.864 169.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.18 -55.13 4.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 1.1 111.391 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 88' ' ' HIS . 42.9 t-80 -75.78 -56.12 4.98 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.16 0.505 . . . . 3.4 111.313 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' C ' ' H ' ' A' ' 89' ' ' THR . 2.7 t80 -83.51 22.32 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 2.64 109.956 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 86' ' ' HIS . 73.9 t60 -45.87 -2.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.007 1.323 . . . . 4.09 113.806 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.572 ' H ' ' C ' ' A' ' 87' ' ' TYR . 8.6 t -69.89 -30.04 67.39 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.512 -0.922 . . . . 1.46 108.512 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 156.41 80.59 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.37 1.468 . . . . 4.28 108.449 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -60.25 -33.92 72.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.587 -0.894 . . . . 3.47 108.587 175.655 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.458 ' OXT' ' HG2' ' A' ' 46' ' ' LYS . 13.6 tp10 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 114.983 -1.008 . . . . 7.09 109.039 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.663 0.268 . . . . 6.8 110.366 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.7 m -142.51 -49.15 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 121.147 -0.221 . . . . 4.76 111.436 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -78.43 -4.88 50.56 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.207 0.527 . . . . 6.35 111.178 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.555 ' C ' ' H ' ' B' ' 6' ' ' GLU . 30.8 tp -84.9 151.04 24.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.818 -0.628 . . . . 4.87 109.434 175.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -73.73 32.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.333 0.587 . . . . 3.1 111.172 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' B' ' 4' ' ' LEU . 8.7 tp10 -65.7 -18.28 65.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.312 -0.858 . . . . 2.51 109.671 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.558 ' O ' HG13 ' B' ' 11' ' ' ILE . 55.9 m-70 -62.91 -57.9 9.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.817 -0.808 . . . . 2.85 108.817 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 44' ' ' THR . 31.0 mt -74.34 -56.09 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.8 -1.091 . . . . 1.1 111.222 -175.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.1 -22.18 66.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.858 0.361 . . . . 2.41 110.629 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.24 -40.75 55.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.987 -0.625 . . . . 0.48 111.764 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 7' ' ' HIS . 76.3 mt -69.25 -38.07 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.472 0.653 . . . . 1.84 109.992 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.7 -35.92 75.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.693 -0.685 . . . . 1.22 110.575 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -71.62 -40.79 69.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 1.95 111.267 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' B' ' 11' ' ' ILE . 33.7 pt -66.88 -28.94 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.217 -0.593 . . . . 2.55 110.516 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.6 -35.29 78.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.185 -0.672 . . . . 3.26 109.185 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -67.07 -21.38 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.642 -0.708 . . . . 2.85 110.722 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -80.73 -53.38 6.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.383 -0.371 . . . . 3.5 111.307 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -83.47 -34.45 25.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.489 0.552 . . . . 6.62 112.489 -172.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -80.22 -73.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.418 . . . . 3.15 110.963 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 m -120.46 -131.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.235 -0.439 . . . . 4.57 110.971 -176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -118.79 -156.91 0.67 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.052 -0.721 . . . . 7.92 109.052 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -80.2 48.31 0.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.056 0.455 . . . . 9.06 110.927 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.6 176.02 33.39 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.66 -0.576 . . . . 5.77 111.66 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -92.12 -27.01 18.01 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.986 0.393 . . . . 8.99 111.178 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' B' ' 26' ' ' ASP . 75.9 m-85 -131.24 -162.53 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.586 -0.279 . . . . 8.34 110.647 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' B' ' 25' ' ' PHE . 49.0 m-20 77.51 130.78 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 124.201 0.938 . . . . 5.62 111.811 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.424 HG22 ' HA ' ' B' ' 70' ' ' ASP . 8.9 t -179.26 148.65 0.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.888 -1.051 . . . . 4.38 108.765 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.48 ' HB2' ' OE1' ' B' ' 32' ' ' GLU . 91.1 mt -125.78 -137.92 0.27 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.587 0.588 . . . . 3.39 112.587 -171.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.9 m -95.35 -171.31 2.36 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.218 0.821 . . . . 1.88 113.218 -166.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.494 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 10.5 ttmm -47.05 -38.06 10.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.744 1.016 . . . . 1.93 113.744 -172.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.67 4.78 Favored Glycine 0 N--CA 1.466 0.648 0 N-CA-C 114.877 0.711 . . . . 0.46 114.877 -172.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.48 ' OE1' ' HB2' ' B' ' 28' ' ' LEU . 2.7 pt-20 -65.36 -36.35 83.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.493 0.553 . . . . 2.43 112.493 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 18.0 tp -65.76 -45.22 83.37 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.817 -0.808 . . . . 1.18 108.817 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -57.59 -44.63 85.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.654 -1.157 . . . . 2.4 110.578 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 36.2 tt0 -55.23 -59.09 5.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.018 -0.537 . . . . 2.62 110.105 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tt -49.39 -60.65 2.65 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 123.656 0.598 . . . . 1.11 110.17 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.2 mt -53.06 -47.72 68.23 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 113.389 0.885 . . . . 1.18 113.389 -173.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 20.2 p -66.58 -38.32 86.8 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 1.64 112.062 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.2 ptmt -97.52 -23.19 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.295 0.85 . . . . 2.17 113.295 -176.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -102.6 -35.42 8.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.736 0.303 . . . . 1.67 111.04 -170.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 8' ' ' LEU . 35.4 mt -120.1 30.32 7.06 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.495 0.665 . . . . 2.07 109.4 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.32 -35.86 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.376 -1.284 . . . . 1.25 113.544 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.92 34.11 5.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.392 0.615 . . . . 2.69 110.597 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.433 HG21 ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -113.75 -61.83 1.68 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.728 0.775 . . . . 1.19 109.628 175.294 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.532 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 23.6 mt -85.71 137.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.408 -1.269 . . . . 1.13 109.773 -175.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.476 ' HG2' ' OXT' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -55.2 126.29 24.2 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.129 0.268 . . . . 2.14 110.484 -178.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.469 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.7 m-20 42.88 44.55 3.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 124.028 0.83 . . . . 1.62 112.22 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.532 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -62.13 -6.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.922 0.868 . . . . 1.19 110.84 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' B' ' 47' ' ' ASN . 0.7 OUTLIER -84.29 -10.82 57.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.148 -0.933 . . . . 1.76 110.136 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.488 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.1 m-20 -90.9 128.81 36.9 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.684 -0.689 . . . . 1.59 111.104 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.14 -29.48 70.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.982 -1.008 . . . . 1.5 110.135 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.72 -36.15 81.79 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.592 -0.731 . . . . 1.32 109.209 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' B' ' 56' ' ' GLU . 32.0 t -75.14 -43.54 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.54 -1.209 . . . . 1.23 109.652 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 50' ' ' ASP . 29.9 mt -65.42 -36.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 1.1 110.861 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 35.9 t70 -64.42 -49.84 69.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.601 -0.727 . . . . 1.53 109.347 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 15.9 mm-40 -47.54 -46.78 28.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.919 -1.037 . . . . 1.77 111.114 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.457 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 86.6 mt -70.37 -53.72 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.666 -0.697 . . . . 1.62 111.378 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.494 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 16.9 t80 -55.6 -47.34 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 2.59 110.283 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 60.5 mm-40 -61.09 -31.21 70.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 2.08 109.927 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.06 -26.21 74.85 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.627 -0.715 . . . . 0.56 112.159 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.6 OUTLIER -87.8 -50.8 6.23 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.744 -0.836 . . . . 1.14 108.744 177.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.46 74.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.7 -1.136 . . . . 1.4 110.82 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.32 -16.56 59.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.474 -0.785 . . . . 1.46 109.513 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.42 -18.45 61.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.985 -1.007 . . . . 3.55 110.3 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.84 38.7 17.75 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.787 -1.097 . . . . 3.2 111.446 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -110.52 -2.91 16.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.447 0.642 . . . . 2.14 109.938 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 61.22 47.56 6.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 114.716 -1.129 . . . . 2.01 110.236 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 9.7 pt20 -142.94 118.63 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.617 -0.72 . . . . 2.47 110.136 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.27 106.53 12.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.551 0.691 . . . . 2.42 110.504 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.487 ' HB2' ' HG2' ' B' ' 73' ' ' GLU . 5.3 m-20 -77.61 174.46 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.248 -0.649 . . . . 2.02 109.248 172.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -62.74 -32.3 73.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.446 -0.501 . . . . 2.98 110.007 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.499 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.5 tt0 -69.62 -41.08 76.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.574 . . . . 2.16 111.104 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' B' ' 70' ' ' ASP . 3.9 mm-40 -68.86 -33.78 74.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.642 0.734 . . . . 1.99 109.372 177.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.494 ' O ' HG22 ' B' ' 78' ' ' VAL . 71.5 t80 -69.76 -24.1 63.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.644 -0.707 . . . . 2.55 110.043 174.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.2 mt -67.94 -42.02 85.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 1.32 109.681 176.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.555 ' O ' HD12 ' B' ' 80' ' ' ILE . 2.1 p -69.28 -28.68 66.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.151 -0.477 . . . . 1.28 110.345 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.1 tm? -58.86 -45.52 89.93 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.719 -0.474 . . . . 1.78 109.719 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 40.1 t -66.16 -32.37 57.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.966 -0.561 . . . . 1.15 110.03 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.68 98.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.499 0.666 . . . . 1.11 109.977 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.555 HD12 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.69 -45.62 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.119 -0.946 . . . . 1.09 110.22 174.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.443 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -77.84 -22.7 49.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.568 -0.742 . . . . 1.0 112.353 -173.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 63.5 mt -67.89 -39.87 83.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 1.1 109.624 173.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 9.3 mttt -75.47 -19.93 59.11 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.705 -0.68 . . . . 2.26 110.429 174.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . . . -69.02 -24.78 64.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.021 0.438 . . . . 1.24 109.834 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.16 -55.2 4.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 1.1 111.305 175.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.414 ' C ' ' H ' ' B' ' 88' ' ' HIS . 42.4 t-80 -75.84 -55.92 5.17 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.298 0.571 . . . . 3.39 111.314 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.573 ' C ' ' H ' ' B' ' 89' ' ' THR . 2.7 t80 -83.59 22.34 1.09 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.64 -0.709 . . . . 2.64 109.905 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' B' ' 86' ' ' HIS . 74.4 t60 -45.76 -3.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.0 1.32 . . . . 4.09 113.779 -177.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.573 ' H ' ' C ' ' B' ' 87' ' ' TYR . 8.7 t -69.98 -29.82 67.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.619 -0.882 . . . . 1.47 108.619 177.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 156.01 80.31 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 125.427 1.491 . . . . 4.28 108.568 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -60.1 -33.64 72.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.592 -0.892 . . . . 3.47 108.592 175.484 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.476 ' OXT' ' HG2' ' B' ' 46' ' ' LYS . 14.2 tp10 . . . . . 0 C--O 1.243 0.755 0 CA-C-N 115.0 -1.0 . . . . 7.08 109.154 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.892 -0.411 . . . . 6.79 109.892 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -67.76 129.08 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.584 -0.525 . . . . 4.76 109.584 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.622 ' HB3' ' O ' ' B' ' 40' ' ' GLU . 63.9 mttp -85.79 -16.83 37.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.926 0.393 . . . . 6.36 111.045 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt 67.38 12.48 8.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.646 . . . . 4.86 111.567 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -72.2 -8.39 54.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.441 0.639 . . . . 3.1 109.772 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.89 -20.35 56.75 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.037 -0.983 . . . . 2.51 110.218 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.548 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 81.6 m-70 -72.81 -43.07 63.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.851 -0.425 . . . . 2.85 109.851 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' B' ' 81' ' ' ALA . 83.9 mt -68.41 -60.78 2.19 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.93 0.395 . . . . 1.1 110.753 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.16 -22.64 66.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 2.41 110.65 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.603 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -71.73 -38.27 61.05 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.638 -0.71 . . . . 0.48 112.181 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 7' ' ' HIS . 71.9 mt -66.8 -38.68 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.075 -0.713 . . . . 1.84 109.075 174.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.94 -33.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.915 -1.039 . . . . 1.22 110.22 172.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.28 -34.89 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 1.95 111.074 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 10' ' ' GLY . 22.8 mt -68.11 -38.71 80.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.235 0.54 . . . . 2.55 109.551 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.523 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 8.4 t80 -59.03 -47.64 84.48 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.724 -0.843 . . . . 3.26 108.724 171.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.13 -23.84 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.774 -1.103 . . . . 2.85 110.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -70.48 -60.54 2.21 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.441 -0.345 . . . . 3.5 110.622 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.523 ' CE2' ' HA ' ' A' ' 15' ' ' PHE . 29.9 p90 -73.29 -4.28 32.26 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.826 -0.75 . . . . 6.61 111.23 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -85.67 13.43 7.1 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.336 0.589 . . . . 3.15 109.553 172.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t 60.78 33.5 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.915 0.865 . . . . 4.58 110.675 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 57.4 33.92 23.95 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.845 -1.071 . . . . 7.92 113.33 172.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -156.39 -67.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.84 -0.344 . . . . 9.05 111.016 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.2 -123.65 0.86 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.35 -0.929 . . . . 5.75 112.577 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.4 m80 61.45 38.1 16.16 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.114 0.483 . . . . 8.99 110.28 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -81.85 56.7 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 8.34 111.022 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.94 -44.99 4.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.617 -0.72 . . . . 5.62 110.606 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 m -87.33 -80.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 4.37 110.357 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp 45.08 58.24 4.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.509 0.671 . . . . 3.39 111.361 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -81.15 -170.52 2.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.522 -0.763 . . . . 1.87 111.441 -176.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HD2' ' CE ' ' A' ' 51' ' ' LYS . 16.7 ttmt -54.24 -31.96 54.72 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.559 -0.291 . . . . 1.93 111.729 -172.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.549 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -57.7 -45.03 93.81 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.198 -0.525 . . . . 0.47 113.148 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -67.92 -44.03 77.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.399 0.619 . . . . 2.44 110.155 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.1 tp -64.43 -43.02 95.63 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.101 -0.954 . . . . 1.18 110.004 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 1.5 pptp? -64.73 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 2.4 110.329 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.711 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 38.5 mt-30 -61.55 -63.78 1.16 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.468 -0.567 . . . . 2.62 109.468 172.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -48.77 -48.25 41.12 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.91 0.756 . . . . 1.11 110.745 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.2 mt -63.77 -53.37 52.08 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.097 0.777 . . . . 1.18 113.097 -174.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 49' ' ' LYS . 36.3 p -66.28 -32.56 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.951 0.352 . . . . 1.64 111.951 -173.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.9 ptmm? -96.29 -35.54 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 2.17 112.673 -175.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.628 ' O ' ' HB3' ' B' ' 3' ' ' LYS . 10.4 mm-40 -95.79 -43.56 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.125 0.488 . . . . 1.67 110.907 -171.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' B' ' 8' ' ' LEU . 13.6 mt -105.41 26.56 9.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 2.07 109.659 -174.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.76 -38.87 23.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 114.528 -1.214 . . . . 1.25 113.411 -175.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -115.23 18.83 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.495 -0.482 . . . . 2.69 111.326 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -103.2 -54.23 2.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.434 0.635 . . . . 1.19 110.1 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 54.0 mt -92.11 143.85 10.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.185 -0.916 . . . . 1.14 109.814 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -60.68 123.78 18.46 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.183 -0.302 . . . . 2.14 110.183 -176.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.485 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 42.85 45.06 4.14 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.518 -0.765 . . . . 1.62 111.859 177.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.477 ' CG1' ' HB3' ' A' ' 37' ' ' LEU . 8.0 tp -60.6 -4.99 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 1.19 111.257 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -82.95 -16.93 45.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.194 -0.912 . . . . 1.76 110.084 -179.458 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' ILE . 7.3 m-20 -84.83 128.52 34.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.335 -0.848 . . . . 1.58 111.366 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.526 ' CE ' ' HD2' ' A' ' 30' ' ' LYS . 23.0 tptm -63.48 -25.55 68.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.162 -0.926 . . . . 1.51 110.247 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.7 -37.32 73.57 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.409 0.623 . . . . 1.33 109.322 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.2 t -71.82 -43.24 69.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.823 -1.08 . . . . 1.23 109.077 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 50' ' ' ASP . 54.0 mt -64.57 -35.84 75.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 114.719 -1.128 . . . . 1.1 111.356 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.6 t70 -63.84 -51.65 63.7 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.902 -0.777 . . . . 1.53 108.902 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.9 mm-40 -48.87 -44.31 39.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.613 -1.176 . . . . 1.77 111.345 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.584 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 72.7 mt -70.99 -57.65 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.819 -0.628 . . . . 1.62 111.412 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -52.93 -47.15 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 2.59 110.788 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 15.9 mm100 -66.79 -26.88 67.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.5 -0.773 . . . . 2.08 110.454 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.68 -32.07 54.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.014 -0.613 . . . . 0.56 112.701 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -82.67 -40.23 20.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.19 -0.671 . . . . 1.14 109.19 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -76.24 73.01 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.199 -0.91 . . . . 1.4 110.746 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.21 62.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.218 -0.901 . . . . 1.46 109.891 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -20.21 56.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.038 -0.983 . . . . 3.54 110.295 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.35 35.55 20.61 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.852 -1.067 . . . . 3.2 110.863 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -119.72 8.58 11.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 2.13 111.231 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 64.9 49.11 2.21 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.424 0.631 . . . . 2.02 110.41 175.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.37 119.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.137 0.494 . . . . 2.47 111.824 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -88.63 107.45 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.06 -0.518 . . . . 2.42 110.631 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.444 ' H ' ' CG ' ' A' ' 73' ' ' GLU . 6.3 t70 -94.71 -173.61 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.145 -1.057 . . . . 2.02 108.145 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -61.75 -42.49 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.196 0.453 . . . . 2.97 111.592 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -70.79 -40.91 72.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.355 0.598 . . . . 2.16 110.383 -178.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.6 mm-40 -60.99 -39.59 90.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.475 -0.935 . . . . 1.99 108.475 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 78' ' ' VAL . 63.3 t80 -67.72 -28.58 67.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.42 -0.809 . . . . 2.55 110.58 175.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.55 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.8 OUTLIER -65.85 -37.2 79.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.623 -0.717 . . . . 1.31 109.235 176.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 29.1 m -63.0 -39.89 96.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.361 -0.836 . . . . 1.27 109.304 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.491 HD21 ' CG2' ' A' ' 57' ' ' ILE . 1.9 tm? -58.89 -43.36 90.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 1.78 110.158 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -66.16 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.935 -0.394 . . . . 1.15 109.935 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.89 -50.42 73.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.264 0.554 . . . . 1.1 109.78 173.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.449 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -41.05 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.154 -0.93 . . . . 1.09 110.477 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.523 ' HB3' HD12 ' B' ' 8' ' ' LEU . . . -72.29 -42.52 65.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.368 -0.833 . . . . 1.0 112.361 -174.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 83.5 mt -68.34 -39.07 82.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.105 0.479 . . . . 1.1 109.844 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.558 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.1 OUTLIER -56.24 -56.22 23.63 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.353 -0.84 . . . . 2.26 109.64 172.245 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -63.29 -20.87 65.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.25 0.463 . . . . 1.24 112.25 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -69.98 -60.37 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.723 0.268 . . . . 1.1 111.723 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 88' ' ' HIS . 42.9 t-80 -86.39 -39.18 16.65 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.431 0.634 . . . . 3.4 110.964 -178.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.545 ' C ' ' H ' ' A' ' 89' ' ' THR . 15.3 t80 -84.13 23.25 1.08 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.885 0.874 . . . . 2.64 109.164 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 46.0 t60 -49.79 19.47 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.261 1.824 . . . . 4.09 115.291 -176.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.545 ' H ' ' C ' ' A' ' 87' ' ' TYR . 2.1 t -66.39 -35.09 79.45 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.13 -1.063 . . . . 1.46 108.13 172.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 167.97 -29.45 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.448 -1.251 . . . . 4.28 109.3 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.411 ' HE2' HG22 ' A' ' 80' ' ' ILE . 9.8 ttpp 71.22 -52.76 0.68 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.168 -0.924 . . . . 3.47 109.535 -174.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 . . . . . 0 C--O 1.246 0.9 0 CA-C-N 115.262 -0.881 . . . . 7.09 110.102 -177.747 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.863 -0.421 . . . . 6.8 109.863 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t -68.46 129.38 39.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.475 -0.565 . . . . 4.76 109.475 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.628 ' HB3' ' O ' ' A' ' 40' ' ' GLU . 64.0 mttp -86.15 -16.96 36.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.024 0.44 . . . . 6.35 110.967 -176.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt 67.54 12.38 8.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.687 -0.688 . . . . 4.87 111.569 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -72.03 -8.29 53.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.477 0.656 . . . . 3.1 109.953 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.88 -20.57 57.94 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.977 -1.01 . . . . 2.51 110.166 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.552 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 81.9 m-70 -72.73 -43.05 63.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.823 -0.436 . . . . 2.85 109.823 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 81' ' ' ALA . 83.1 mt -68.36 -60.81 2.18 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.956 0.408 . . . . 1.1 110.868 177.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.21 -22.55 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.94 -0.573 . . . . 2.41 110.536 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.608 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -71.68 -38.41 61.22 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.48 112.224 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 7' ' ' HIS . 72.0 mt -66.79 -38.68 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.04 -0.726 . . . . 1.84 109.04 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.95 -33.54 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.976 -1.011 . . . . 1.22 110.182 172.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -71.29 -34.79 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 1.95 110.97 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.608 HG13 ' O ' ' B' ' 10' ' ' GLY . 23.1 mt -68.15 -38.7 80.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 109.574 -0.528 . . . . 2.55 109.574 177.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.523 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 8.1 t80 -59.09 -47.81 83.91 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.654 -0.869 . . . . 3.26 108.654 171.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -58.92 -23.86 61.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.852 -1.067 . . . . 2.85 110.884 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -70.39 -60.54 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 3.5 110.599 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.523 ' CE2' ' HA ' ' B' ' 15' ' ' PHE . 29.9 p90 -73.33 -4.58 34.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 119.896 -0.722 . . . . 6.62 111.219 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 24.9 t -85.46 13.73 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.447 0.641 . . . . 3.15 109.621 172.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 t 60.41 33.84 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.326 -0.852 . . . . 4.57 110.698 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 57.22 34.05 24.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.768 -1.105 . . . . 7.92 113.232 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -156.85 -67.0 0.1 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.735 -0.386 . . . . 9.06 111.195 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.91 -123.45 0.86 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.188 -1.006 . . . . 5.77 112.517 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 42.4 m80 60.55 38.69 18.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.191 0.52 . . . . 8.99 110.315 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -82.06 56.94 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.503 0.668 . . . . 8.34 110.832 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -107.21 -44.88 4.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.668 -0.696 . . . . 5.62 110.699 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -87.52 -80.64 0.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.431 -0.35 . . . . 4.38 110.157 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp 45.36 57.8 4.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.455 0.645 . . . . 3.39 111.455 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -81.12 -170.72 2.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.563 -0.744 . . . . 1.88 111.475 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.525 ' HD2' ' CE ' ' B' ' 51' ' ' LYS . 16.6 ttmt -53.83 -31.93 51.05 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 111.854 0.316 . . . . 1.93 111.854 -172.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.539 ' O ' ' HG3' ' B' ' 34' ' ' LYS . . . -58.06 -44.61 94.59 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 121.116 -0.564 . . . . 0.46 113.283 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -67.96 -44.09 77.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.371 0.605 . . . . 2.43 110.156 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.9 tp -64.41 -43.1 95.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.117 -0.947 . . . . 1.18 110.059 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 31' ' ' GLY . 1.6 pptp? -64.68 -31.03 72.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.068 -0.514 . . . . 2.4 110.329 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.698 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 39.1 mt-30 -61.74 -63.65 1.19 Allowed 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.579 -0.526 . . . . 2.62 109.579 172.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tt -48.92 -48.13 42.92 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 123.942 0.776 . . . . 1.11 110.735 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.0 mt -63.79 -53.3 53.0 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.113 0.783 . . . . 1.18 113.113 -174.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.445 HG22 ' HA ' ' B' ' 49' ' ' LYS . 36.7 p -66.12 -32.91 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.933 0.345 . . . . 1.64 111.933 -173.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.698 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.9 ptmm? -96.41 -35.13 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.789 0.663 . . . . 2.17 112.789 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 3' ' ' LYS . 10.2 mm-40 -95.81 -43.68 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.178 0.513 . . . . 1.67 110.92 -171.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.405 HD21 ' CD1' ' A' ' 8' ' ' LEU . 13.6 mt -105.3 26.77 8.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.256 0.551 . . . . 2.07 109.695 -174.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.76 -39.52 25.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 114.621 -1.172 . . . . 1.25 113.308 -175.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -114.42 18.76 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.501 -0.48 . . . . 2.69 111.45 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.441 HG21 ' CD1' ' A' ' 8' ' ' LEU . 1.6 m -103.3 -54.32 2.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.48 0.657 . . . . 1.19 110.144 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.471 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.0 mt -92.06 144.04 10.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.088 -0.96 . . . . 1.13 109.788 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.485 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -60.95 123.89 18.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.193 -0.299 . . . . 2.14 110.193 -176.166 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.485 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 42.79 45.11 4.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.515 -0.766 . . . . 1.62 111.93 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.483 ' CG1' ' HB3' ' B' ' 37' ' ' LEU . 8.1 tp -60.57 -5.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.824 0.821 . . . . 1.19 111.265 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' B' ' 47' ' ' ASN . 0.1 OUTLIER -83.07 -16.79 45.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.224 -0.898 . . . . 1.76 109.992 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.43 ' O ' HG13 ' B' ' 54' ' ' ILE . 7.2 m-20 -84.78 128.42 34.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.312 -0.858 . . . . 1.59 111.383 -178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.525 ' CE ' ' HD2' ' B' ' 30' ' ' LYS . 23.0 tptm -63.47 -25.73 68.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.107 -0.951 . . . . 1.5 110.144 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.48 -37.57 74.25 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.488 0.661 . . . . 1.32 109.293 175.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.7 t -71.53 -43.22 72.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 114.87 -1.059 . . . . 1.23 109.163 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 50' ' ' ASP . 54.1 mt -64.63 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.639 -1.164 . . . . 1.1 111.302 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.92 -51.71 63.22 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.709 -0.848 . . . . 1.53 108.709 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 19.5 mm-40 -49.19 -43.93 42.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.622 -1.172 . . . . 1.77 111.387 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 73.1 mt -70.98 -57.78 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.943 -0.571 . . . . 1.62 111.458 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -52.77 -47.16 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.939 -0.573 . . . . 2.59 110.89 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -66.91 -26.79 67.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.468 -0.787 . . . . 2.08 110.48 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.34 -32.77 54.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 0.56 112.643 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.8 OUTLIER -82.22 -40.59 21.44 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.242 -0.651 . . . . 1.14 109.242 -179.441 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -75.99 73.07 2.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.11 -0.95 . . . . 1.4 110.716 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.97 -16.32 62.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.088 -0.96 . . . . 1.46 109.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.64 -20.53 56.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.14 -0.937 . . . . 3.55 110.143 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.9 35.45 19.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 114.978 -1.01 . . . . 3.2 110.788 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -119.56 8.5 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 2.14 111.43 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 64.91 49.22 2.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 2.01 110.419 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.53 119.76 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 2.47 111.884 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.59 107.5 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.084 -0.507 . . . . 2.42 110.672 170.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.453 ' H ' ' CG ' ' B' ' 73' ' ' GLU . 6.1 t70 -94.8 -173.51 3.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.171 -1.048 . . . . 2.02 108.171 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -61.74 -42.5 99.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.203 0.456 . . . . 2.98 111.659 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.419 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 0.9 OUTLIER -70.74 -40.88 72.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.405 0.621 . . . . 2.16 110.332 -178.094 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.6 mm-40 -61.05 -39.47 89.97 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.408 -0.96 . . . . 1.99 108.408 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.545 ' O ' HG23 ' B' ' 78' ' ' VAL . 63.1 t80 -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.372 -0.831 . . . . 2.55 110.501 176.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.8 OUTLIER -65.62 -37.61 80.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 1.32 109.174 176.049 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 20.2 m -62.47 -40.17 95.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.345 -0.843 . . . . 1.28 109.184 174.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.504 HD21 ' CG2' ' B' ' 57' ' ' ILE . 1.9 tm? -58.99 -43.29 91.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 1.78 110.148 177.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.3 t -66.21 -31.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.002 -0.37 . . . . 1.15 110.002 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.87 -50.27 74.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.288 0.566 . . . . 1.11 109.791 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.442 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.72 -41.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.237 -0.892 . . . . 1.09 110.418 175.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.518 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -72.23 -42.48 65.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.275 -0.875 . . . . 1.0 112.421 -174.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 83.6 mt -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.236 0.541 . . . . 1.1 109.852 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.55 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -56.2 -56.26 23.08 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.291 -0.868 . . . . 2.26 109.628 172.21 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -63.24 -20.95 65.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.317 0.488 . . . . 1.24 112.317 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -69.8 -60.36 2.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.727 0.269 . . . . 1.1 111.727 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.478 ' C ' ' H ' ' B' ' 88' ' ' HIS . 42.4 t-80 -86.59 -38.85 16.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.23 0.538 . . . . 3.39 110.95 -178.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.541 ' C ' ' H ' ' B' ' 89' ' ' THR . 15.2 t80 -84.55 23.6 1.11 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.809 0.844 . . . . 2.64 109.076 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' B' ' 86' ' ' HIS . 48.0 t60 -50.07 19.01 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.274 1.83 . . . . 4.09 115.259 -175.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.541 ' H ' ' C ' ' B' ' 87' ' ' TYR . 2.0 t -66.26 -34.9 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.084 -1.08 . . . . 1.47 108.084 173.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.406 ' C ' ' H ' ' B' ' 92' ' ' GLU . 42.7 p-80 168.08 -29.85 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 114.465 -1.243 . . . . 4.28 109.403 174.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.425 ' HE2' HG22 ' B' ' 80' ' ' ILE . 9.8 ttpp 71.63 -52.74 0.69 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.986 0.914 . . . . 3.47 109.558 -174.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' B' ' 90' ' ' HIS . 71.4 tt0 . . . . . 0 C--O 1.244 0.8 0 CA-C-N 115.068 -0.969 . . . . 7.08 109.988 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.853 0.358 . . . . 6.79 110.69 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -156.25 51.52 0.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.872 0.844 . . . . 4.76 109.902 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -114.09 20.21 15.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.523 -0.762 . . . . 6.36 110.299 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' H ' HD11 ' A' ' 4' ' ' LEU . 8.0 mp -31.01 115.62 0.14 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.207 -1.361 . . . . 4.86 113.406 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.9 pt-20 49.47 14.07 0.1 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.369 1.468 . . . . 3.1 114.726 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -34.68 78.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.545 0.688 . . . . 2.51 109.747 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.49 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 26.9 m-70 -82.83 -39.67 21.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.595 -0.73 . . . . 2.85 111.577 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.561 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 79.0 mt -63.15 -61.01 2.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.373 0.606 . . . . 1.1 110.543 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.78 -25.53 65.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.169 -0.923 . . . . 2.41 109.896 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -70.46 -42.17 65.0 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.571 -0.74 . . . . 0.48 112.708 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' HIS . 62.9 mt -64.45 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 117.573 0.686 . . . . 1.84 109.253 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.85 -37.14 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.062 -0.972 . . . . 1.22 110.408 174.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.3 t30 -69.36 -41.73 76.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 1.95 110.657 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.95 -43.38 92.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.378 -0.374 . . . . 2.55 110.248 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.94 99.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.64 -0.504 . . . . 3.26 109.64 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' A' ' 19' ' ' SER . 22.2 m170 -58.17 -37.85 75.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.753 0.311 . . . . 2.85 111.021 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 16.0 mm100 -57.41 -52.21 66.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 3.5 111.278 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.518 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 95.7 m-85 -87.86 -23.88 23.85 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.4 0.519 . . . . 6.61 112.4 -178.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 16' ' ' HIS . 48.9 m -135.49 121.27 19.68 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.517 0.191 . . . . 3.15 111.517 -178.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 26' ' ' ASP . 15.8 m 40.68 79.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 113.993 1.108 . . . . 4.58 113.993 175.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -80.22 -18.36 49.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.048 0.451 . . . . 7.92 110.018 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -152.38 -52.4 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 9.05 110.181 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.8 117.04 0.75 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.643 -0.789 . . . . 5.75 112.418 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -162.06 75.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.382 -0.599 . . . . 8.99 109.382 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 69.55 -79.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.306 -0.861 . . . . 8.34 110.566 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 27' ' ' THR . 12.0 t70 -176.85 -71.85 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.261 -0.644 . . . . 5.62 109.261 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 70' ' ' ASP . 4.1 p -153.32 126.17 8.34 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.184 -1.043 . . . . 4.37 108.184 176.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.5 mt -102.71 -166.89 1.33 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.289 0.566 . . . . 3.39 112.269 -171.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 m -84.24 -170.52 3.13 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.287 0.847 . . . . 1.87 113.287 -168.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 8.6 ttpp -56.23 -20.02 16.43 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.092 -0.958 . . . . 1.93 113.26 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' LYS . . . -54.42 -55.36 27.21 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.36 -0.448 . . . . 0.47 114.024 -176.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -74.08 -29.61 61.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.798 0.332 . . . . 2.44 111.509 -175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.7 tp -60.14 -52.79 63.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.962 -0.755 . . . . 1.18 108.962 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 29.0 ttmt -48.42 -48.37 37.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.591 -1.186 . . . . 2.4 110.954 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.614 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 45.8 mt-30 -55.74 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 2.62 110.667 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -49.64 -47.31 49.94 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.301 0.572 . . . . 1.11 110.556 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -63.85 -52.42 60.16 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.885 -0.598 . . . . 1.18 112.381 -175.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.5 p -64.34 -35.41 80.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.431 -0.35 . . . . 1.64 111.75 -174.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.8 ptmt -97.4 -26.67 14.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.385 0.883 . . . . 2.17 113.385 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 63.3 mm-40 -99.04 -41.83 7.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.18 0.514 . . . . 1.67 111.079 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' B' ' 8' ' ' LEU . 15.6 mt -107.97 24.59 12.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.291 0.567 . . . . 2.07 109.928 -174.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.29 -39.98 10.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.255 -1.339 . . . . 1.25 113.831 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -117.83 28.6 8.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.276 0.56 . . . . 2.69 110.773 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.6 m -112.52 -60.69 1.83 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.46 0.647 . . . . 1.19 110.146 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 49.3 mt -86.3 138.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.032 -0.986 . . . . 1.14 109.54 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.506 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -54.96 123.06 12.29 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.657 0.265 . . . . 2.14 110.656 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.506 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.2 m120 44.94 44.9 8.38 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.236 -0.893 . . . . 1.62 111.745 177.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.8 tp -61.16 -10.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 1.19 110.875 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.7 mmmm -84.3 -10.87 57.27 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.27 -0.877 . . . . 1.76 110.215 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.92 129.44 37.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.541 -0.754 . . . . 1.58 111.25 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.75 -31.21 71.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.553 -1.203 . . . . 1.51 111.132 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.08 78.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.169 -0.678 . . . . 1.33 109.169 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 57' ' ' ILE . 26.7 t -72.34 -47.32 53.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.708 -1.133 . . . . 1.23 109.682 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 mt -60.49 -37.92 76.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.375 -0.829 . . . . 1.1 111.501 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.83 -54.87 36.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.323 -0.621 . . . . 1.53 109.323 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -46.49 -44.23 17.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.137 -0.938 . . . . 1.77 111.389 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.64 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 66.6 mt -70.59 -60.12 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 115.89 -0.596 . . . . 1.62 111.608 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 30' ' ' LYS . 83.4 t80 -55.47 -46.43 76.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.904 0.383 . . . . 2.59 110.955 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 59' ' ' GLN . 13.7 mm-40 -64.32 -25.11 67.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 2.08 110.504 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.78 -29.72 46.48 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.827 -0.701 . . . . 0.56 112.777 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 2.9 mt -84.95 -39.65 17.89 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.115 0.458 . . . . 1.14 110.033 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.43 67.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.403 -0.817 . . . . 1.4 110.552 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.23 -19.58 46.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.344 -0.844 . . . . 1.46 109.697 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -72.34 -20.07 61.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.374 -0.83 . . . . 3.54 109.845 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 62.8 36.81 12.85 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.761 -1.109 . . . . 3.2 112.664 172.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.19 9.84 11.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.719 0.295 . . . . 2.13 110.979 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 63.97 51.62 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.759 . . . . 2.02 109.894 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -149.26 118.32 6.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.603 -0.726 . . . . 2.47 110.582 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 p -80.9 107.45 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.656 0.741 . . . . 2.42 110.367 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.478 ' HA ' HG22 ' A' ' 27' ' ' THR . 24.1 t70 -85.69 174.97 9.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.592 -0.731 . . . . 2.02 109.163 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -59.03 -34.54 72.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.308 0.504 . . . . 2.97 109.965 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.499 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 21.2 tt0 -68.34 -43.06 78.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 2.16 111.029 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.623 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.5 mm-40 -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.803 0.811 . . . . 1.99 109.333 178.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.617 ' O ' HG21 ' A' ' 78' ' ' VAL . 69.9 t80 -74.52 -20.61 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.575 . . . . 2.55 109.795 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.499 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -68.43 -40.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.625 -0.716 . . . . 1.31 109.674 177.645 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.52 ' O ' HD11 ' A' ' 80' ' ' ILE . 2.6 p -70.4 -29.28 65.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.985 -0.552 . . . . 1.27 109.765 173.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.5 tm? -59.23 -46.81 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.789 -0.449 . . . . 1.78 109.789 173.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.617 HG21 ' O ' ' A' ' 74' ' ' PHE . 16.7 t -64.09 -29.65 47.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.602 0 N-CA-C 109.623 -0.51 . . . . 1.15 109.623 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 76' ' ' SER . . . -61.6 -51.48 68.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.187 0.518 . . . . 1.1 109.997 174.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.52 HD11 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -55.24 -41.37 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.299 -0.864 . . . . 1.09 110.41 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -76.68 -33.44 58.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.436 -0.802 . . . . 1.0 112.588 -174.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 93.7 mt -73.76 -35.2 64.97 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 1.1 109.856 176.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.429 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -62.63 -49.74 73.97 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.462 -0.79 . . . . 2.26 109.253 170.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -62.56 -22.21 66.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.563 . . . . 1.24 112.135 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.03 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.672 0.249 . . . . 1.1 111.672 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.59 -42.08 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.472 0.653 . . . . 3.4 110.661 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.523 ' C ' ' H ' ' A' ' 89' ' ' THR . 8.2 t80 -90.19 23.87 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.107 -0.951 . . . . 2.64 109.385 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.411 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 5.1 p-80 -46.32 19.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.721 2.119 . . . . 4.09 116.721 -175.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 87' ' ' TYR . 2.5 t -71.89 -45.33 61.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.57 -0.9 . . . . 1.46 108.57 173.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.427 ' C ' ' H ' ' A' ' 92' ' ' GLU . 90.3 m-70 -167.33 -38.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.641 0.777 . . . . 4.28 109.796 176.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.536 ' HB3' ' HZ2' ' A' ' 91' ' ' LYS . 0.4 OUTLIER 72.6 -52.59 0.7 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.743 -1.117 . . . . 3.47 109.045 -168.112 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 90' ' ' HIS . 10.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 114.611 -1.177 . . . . 7.09 108.661 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.768 0.318 . . . . 6.8 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.4 t -155.63 51.49 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.97 0.891 . . . . 4.76 110.088 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -113.87 20.21 15.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.351 -0.84 . . . . 6.35 110.264 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.451 HD11 ' H ' ' B' ' 4' ' ' LEU . 8.0 mp -31.07 115.72 0.14 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.299 -1.319 . . . . 4.87 113.443 -178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.482 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.8 pt-20 49.5 13.98 0.09 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.33 1.452 . . . . 3.1 114.626 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.448 0.642 . . . . 2.51 109.753 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.495 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 27.0 m-70 -82.84 -39.93 21.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.535 -0.757 . . . . 2.85 111.607 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 78.9 mt -63.01 -60.97 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.246 0.546 . . . . 1.1 110.485 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.82 -25.31 65.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.229 -0.896 . . . . 2.41 109.852 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.49 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -70.67 -42.21 62.94 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.604 -0.726 . . . . 0.48 112.676 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 7' ' ' HIS . 62.9 mt -64.47 -40.25 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 117.593 0.697 . . . . 1.84 109.338 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.76 -37.22 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.121 -0.945 . . . . 1.22 110.389 174.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 8.9 t30 -69.41 -41.91 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 1.95 110.657 176.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.62 -43.5 91.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.292 -0.413 . . . . 2.55 110.269 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.05 -40.83 98.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.591 -0.522 . . . . 3.26 109.591 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.485 ' HA ' ' O ' ' B' ' 19' ' ' SER . 22.0 m170 -58.41 -37.69 75.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.705 0.288 . . . . 2.85 110.963 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 16.0 mm100 -57.52 -51.98 67.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 3.5 111.335 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.509 ' CE1' ' HD3' ' B' ' 39' ' ' LYS . 95.7 m-85 -88.06 -23.99 23.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.244 0.461 . . . . 6.62 112.244 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' B' ' 16' ' ' HIS . 48.9 m -135.28 121.06 19.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.503 0.192 . . . . 3.15 111.481 -178.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.419 HG12 ' O ' ' B' ' 26' ' ' ASP . 15.7 m 40.78 79.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.99 1.107 . . . . 4.57 113.99 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -80.09 -18.22 50.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.954 0.407 . . . . 7.92 110.067 175.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -152.57 -52.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.809 -0.632 . . . . 9.06 110.347 176.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.98 116.94 0.74 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.546 -0.835 . . . . 5.77 112.403 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -161.89 75.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.356 -0.609 . . . . 8.99 109.356 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 70.12 -80.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.469 -0.787 . . . . 8.34 110.422 -175.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.459 ' O ' HG23 ' B' ' 27' ' ' THR . 12.4 t70 -176.74 -72.21 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.25 -0.648 . . . . 5.62 109.25 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.503 HG22 ' HA ' ' B' ' 70' ' ' ASP . 4.2 p -153.02 125.76 8.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.243 -1.021 . . . . 4.38 108.243 176.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HB2' ' CD ' ' B' ' 32' ' ' GLU . 66.9 mt -102.19 -166.77 1.32 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.27 0.557 . . . . 3.39 112.25 -171.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' B' ' 28' ' ' LEU . 15.5 m -84.47 -170.54 3.16 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.167 0.802 . . . . 1.88 113.167 -168.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.524 ' HB2' ' CG ' ' B' ' 58' ' ' PHE . 8.8 ttpp -56.03 -20.4 16.66 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.008 -0.996 . . . . 1.93 113.213 -177.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' B' ' 34' ' ' LYS . . . -54.13 -55.26 27.1 Favored Glycine 0 N--CA 1.463 0.434 0 C-N-CA 121.403 -0.427 . . . . 0.46 114.101 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.412 ' CD ' ' HB2' ' B' ' 28' ' ' LEU . 4.2 pt-20 -74.3 -29.46 61.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.853 0.359 . . . . 2.43 111.534 -175.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 37.1 tp -60.33 -52.73 64.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.993 -0.743 . . . . 1.18 108.993 172.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' B' ' 31' ' ' GLY . 28.8 ttmt -48.51 -48.25 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.506 -1.224 . . . . 2.4 110.922 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.605 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 46.3 mt-30 -55.71 -62.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.62 110.716 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -49.57 -47.47 49.23 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.302 0.573 . . . . 1.11 110.512 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.0 mt -63.71 -52.36 60.9 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.762 -0.654 . . . . 1.18 112.378 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.426 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.5 p -64.4 -35.49 81.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.437 -0.347 . . . . 1.64 111.729 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.7 ptmt -97.28 -26.89 14.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.38 0.881 . . . . 2.17 113.38 -175.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 64.2 mm-40 -98.98 -41.71 7.45 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.148 0.499 . . . . 1.67 111.105 -176.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 8' ' ' LEU . 15.5 mt -107.92 24.57 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.393 0.616 . . . . 2.07 109.963 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.33 -40.0 11.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.257 -1.338 . . . . 1.25 113.773 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -117.8 28.9 8.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.187 0.518 . . . . 2.69 110.795 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.499 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.6 m -112.73 -60.33 1.89 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.459 0.647 . . . . 1.19 110.324 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 48.9 mt -86.76 138.37 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.943 -1.026 . . . . 1.13 109.577 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -54.69 122.86 11.57 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 120.661 0.267 . . . . 2.14 110.695 -177.261 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.495 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 13.3 m120 45.22 44.91 9.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.021 -0.99 . . . . 1.62 111.835 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.8 tp -61.31 -10.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.816 0.817 . . . . 1.19 110.875 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.426 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.7 mmmm -84.7 -10.45 57.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.273 -0.876 . . . . 1.76 110.28 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.0 129.37 37.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.416 -0.811 . . . . 1.59 111.358 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.66 -31.18 71.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.595 -1.184 . . . . 1.5 111.157 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.82 77.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.264 -0.643 . . . . 1.32 109.264 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.6 t -72.55 -47.39 51.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.711 -1.131 . . . . 1.23 109.643 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.27 -38.07 76.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.339 -0.846 . . . . 1.1 111.563 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.69 -54.72 38.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 109.426 -0.583 . . . . 1.53 109.426 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -46.58 -44.27 17.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.142 -0.935 . . . . 1.77 111.341 176.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.638 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.1 mt -70.62 -60.18 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.828 -0.624 . . . . 1.62 111.57 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' B' ' 30' ' ' LYS . 84.0 t80 -55.52 -46.43 77.04 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.824 0.345 . . . . 2.59 110.917 -177.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.427 ' OE1' ' HA ' ' B' ' 59' ' ' GLN . 13.7 mm-40 -64.35 -25.05 67.86 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.688 -0.687 . . . . 2.08 110.341 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.24 -29.27 46.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.792 -0.718 . . . . 0.56 112.799 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 3.0 mt -84.86 -39.87 17.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 117.102 0.451 . . . . 1.14 110.1 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.42 67.78 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.304 -0.862 . . . . 1.4 110.569 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.16 -19.34 47.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 1.46 109.749 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.61 -19.73 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.268 -0.878 . . . . 3.55 109.963 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 62.26 37.26 14.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.683 -1.144 . . . . 3.2 112.48 171.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -120.53 9.77 10.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.73 0.3 . . . . 2.14 110.991 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 64.03 51.71 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 2.01 109.951 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.2 118.3 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 2.47 110.619 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.8 p -80.75 107.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.661 0.743 . . . . 2.42 110.358 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.503 ' HA ' HG22 ' B' ' 27' ' ' THR . 22.3 t70 -85.8 175.06 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.029 -0.73 . . . . 2.02 109.029 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.285 0.493 . . . . 2.98 110.058 176.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 21.5 tt0 -68.33 -43.1 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 2.16 111.023 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.625 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.4 mm-40 -70.2 -31.05 68.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.727 0.775 . . . . 1.99 109.487 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.612 ' O ' HG21 ' B' ' 78' ' ' VAL . 69.8 t80 -74.43 -20.76 59.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 2.55 109.707 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.498 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -68.08 -40.61 83.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.616 -0.72 . . . . 1.32 109.734 177.448 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.524 ' O ' HD11 ' B' ' 80' ' ' ILE . 2.6 p -70.45 -29.19 65.69 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.005 -0.543 . . . . 1.28 109.628 173.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.5 tm? -59.32 -46.76 87.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.769 -0.456 . . . . 1.78 109.769 173.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.612 HG21 ' O ' ' B' ' 74' ' ' PHE . 16.8 t -64.06 -29.78 48.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.59 -0.522 . . . . 1.15 109.59 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' B' ' 76' ' ' SER . . . -61.59 -51.12 69.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.204 0.526 . . . . 1.11 109.962 174.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.524 HD11 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -55.74 -41.2 64.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.315 -0.857 . . . . 1.09 110.323 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.561 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -76.78 -33.47 58.05 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.434 -0.803 . . . . 1.0 112.57 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 93.7 mt -73.72 -35.07 65.05 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.344 0.592 . . . . 1.1 109.943 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.438 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -62.61 -49.61 74.54 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.558 -0.746 . . . . 2.26 109.211 170.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 88' ' ' HIS . . . -62.84 -22.05 66.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.032 -0.531 . . . . 1.24 112.065 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.22 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.779 0.288 . . . . 1.1 111.779 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.91 -42.28 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.456 0.645 . . . . 3.39 110.626 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.492 ' C ' ' H ' ' B' ' 89' ' ' THR . 8.4 t80 -90.11 23.73 2.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.087 -0.96 . . . . 2.64 109.303 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' B' ' 84' ' ' ALA . 5.2 p-80 -46.29 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.725 2.12 . . . . 4.09 116.725 -175.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.492 ' H ' ' C ' ' B' ' 87' ' ' TYR . 2.5 t -71.76 -45.55 61.32 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.559 -0.904 . . . . 1.47 108.559 173.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.435 ' C ' ' H ' ' B' ' 92' ' ' GLU . 90.7 m-70 -167.19 -37.91 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.637 0.775 . . . . 4.28 109.852 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.542 ' HB3' ' HZ2' ' B' ' 91' ' ' LYS . 0.4 OUTLIER 72.21 -52.27 0.7 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.835 -1.075 . . . . 3.47 109.06 -168.196 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' B' ' 90' ' ' HIS . 10.6 tp10 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 114.678 -1.146 . . . . 7.08 108.71 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.856 0.36 . . . . 6.79 110.752 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -83.89 -53.24 5.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 4.76 110.598 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.632 ' HA ' ' CD2' ' A' ' 7' ' ' HIS . 9.3 ptpp? -95.05 15.39 19.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 6.36 110.657 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 61.8 tp -49.64 101.0 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 124.057 0.848 . . . . 4.86 111.89 -175.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 9.8 pt-20 59.01 -38.06 0.06 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.031 1.732 . . . . 3.1 114.404 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.54 -42.48 64.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 2.51 111.15 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.632 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 16.6 m-70 -75.56 -55.22 5.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.436 -0.347 . . . . 2.85 110.51 -176.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.531 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 57.0 mt -62.19 -60.32 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.215 0.531 . . . . 1.1 111.559 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.34 -26.8 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.68 -0.691 . . . . 2.41 109.932 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.44 -38.27 90.81 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.915 -0.659 . . . . 0.48 112.577 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.9 mt -66.43 -42.31 90.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.243 -0.651 . . . . 1.84 109.243 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' A' ' 15' ' ' PHE . 71.1 t -64.71 -33.13 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 114.594 -1.184 . . . . 1.22 111.323 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -64.93 -43.27 93.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 1.95 111.393 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.411 ' CG2' ' HZ3' ' B' ' 3' ' ' LYS . 35.4 mm -72.12 -23.86 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.116 0.484 . . . . 2.55 110.258 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.533 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 61.9 t80 -59.34 -42.81 92.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.297 -0.631 . . . . 3.26 109.297 171.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.23 -0.895 . . . . 2.85 110.657 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -68.76 -57.91 4.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 3.5 112.243 -176.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.645 ' CD1' ' HB3' ' A' ' 32' ' ' GLU . 25.5 p90 -65.6 -26.8 68.0 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.351 -0.54 . . . . 6.61 111.58 -174.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 m -126.2 81.2 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.024 0.44 . . . . 3.15 110.618 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 m -67.61 142.47 16.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 4.58 110.269 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -89.13 -7.89 54.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.282 0.563 . . . . 7.92 110.071 -175.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.63 -36.02 82.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.616 -0.72 . . . . 9.05 109.529 173.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.66 84.54 0.43 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.465 -1.054 . . . . 5.75 110.465 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -51.87 129.33 26.43 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.255 0.55 . . . . 8.99 111.977 -174.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -169.14 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.033 -1.099 . . . . 8.34 108.033 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 47.55 52.6 12.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.604 -1.18 . . . . 5.62 112.327 168.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 m -119.85 86.71 2.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.37 0.605 . . . . 4.37 109.702 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -83.06 61.86 6.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.357 -0.838 . . . . 3.39 110.59 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.7 p -85.75 -172.73 4.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.417 -0.356 . . . . 1.87 111.402 -176.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -65.59 -27.21 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.058 -0.257 . . . . 1.93 111.328 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 -41.85 99.64 Favored Glycine 0 CA--C 1.513 -0.089 0 C-N-CA 120.558 -0.829 . . . . 0.47 112.099 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.645 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 10.4 mm-40 -69.36 -42.2 75.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.289 0.566 . . . . 2.44 110.427 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 23.3 tp -62.39 -51.55 67.14 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.152 -0.931 . . . . 1.18 109.639 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -53.44 -46.04 69.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 2.4 111.089 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -53.25 -58.77 5.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.256 -0.429 . . . . 2.62 110.042 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.5 tt -54.38 -51.63 64.23 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.936 0.398 . . . . 1.11 110.599 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 97.0 mt -58.85 -49.67 76.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.757 0.651 . . . . 1.18 112.757 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 28.7 p -66.39 -31.55 72.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.003 0.371 . . . . 1.64 112.003 -174.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -96.62 -22.56 16.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.721 0.638 . . . . 2.17 112.721 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 24.6 mm-40 -103.36 -46.48 4.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.964 0.411 . . . . 1.67 111.826 -174.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.14 22.2 16.36 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.071 -0.513 . . . . 2.07 109.765 -174.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -48.13 -34.32 9.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.767 -1.106 . . . . 1.25 113.036 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -122.38 35.75 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.447 0.641 . . . . 2.69 110.771 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.9 m -119.73 -62.81 1.45 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.304 0.573 . . . . 1.19 109.941 174.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 57.0 mt -84.71 133.29 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.267 -0.879 . . . . 1.14 109.753 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HB3' ' N ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -53.23 127.0 22.89 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 123.359 0.412 . . . . 2.14 110.909 -178.769 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.3 m120 48.34 39.77 13.11 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.918 0.761 . . . . 1.62 111.406 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.0 tp -62.65 -8.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 122.09 0.948 . . . . 1.19 110.25 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -84.66 -12.95 52.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.744 -1.116 . . . . 1.76 110.214 178.535 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.34 129.41 34.86 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.691 -0.686 . . . . 1.58 110.53 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.75 -26.41 67.71 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.574 -0.739 . . . . 1.51 109.702 178.18 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.33 78.03 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.64 0.733 . . . . 1.33 109.393 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.0 t -74.69 -45.2 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.61 -1.177 . . . . 1.23 109.397 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.89 -38.55 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.921 -1.036 . . . . 1.1 111.438 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 1.1 t70 -66.62 -43.34 85.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.169 -0.678 . . . . 1.53 109.169 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 28.6 mm-40 -50.85 -47.2 60.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 1.77 110.941 174.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.584 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 63.2 mt -71.85 -53.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.824 -0.625 . . . . 1.62 110.903 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 88.2 t80 -52.08 -48.57 64.63 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.336 -0.847 . . . . 2.59 110.818 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.551 ' HA ' HE21 ' A' ' 59' ' ' GLN . 0.0 OUTLIER -68.11 -25.9 65.54 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.795 -0.639 . . . . 2.08 110.695 -179.411 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.48 73.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.895 -0.669 . . . . 0.56 111.736 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -90.08 -39.99 12.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.542 -0.54 . . . . 1.14 109.542 179.179 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.41 69.89 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.498 0.666 . . . . 1.4 110.007 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.82 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 1.46 110.975 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -86.88 -11.63 50.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.224 0.535 . . . . 3.54 110.131 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 60.55 43.04 13.33 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.101 -0.954 . . . . 3.2 110.572 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -99.85 -10.7 21.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 2.13 109.825 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 34.3 mt-10 65.29 29.59 11.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.763 -1.108 . . . . 2.02 111.696 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -139.58 120.3 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.102 -0.499 . . . . 2.47 110.607 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.03 115.28 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.666 -0.697 . . . . 2.42 110.828 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.523 ' HB3' ' HG2' ' A' ' 73' ' ' GLU . 20.1 t70 -79.16 166.8 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 2.02 109.086 173.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.458 ' HD1' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 m-85 -56.21 -36.82 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.242 0.544 . . . . 2.97 110.286 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.561 ' HB2' ' HZ1' ' B' ' 83' ' ' LYS . 62.0 tt0 -69.32 -40.65 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.374 -0.83 . . . . 2.16 110.445 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.523 ' HG2' ' HB3' ' A' ' 70' ' ' ASP . 2.5 mm-40 -73.16 -30.48 63.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.647 -0.706 . . . . 1.99 109.892 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.576 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 80.4 t80 -70.41 -23.09 62.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.527 0.68 . . . . 2.55 109.462 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.618 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.7 mt -70.78 -40.34 76.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.425 -0.807 . . . . 1.31 109.472 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.657 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.35 -23.49 63.77 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.072 -0.513 . . . . 1.27 110.251 173.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.576 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.2 tm? -60.81 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.893 -0.781 . . . . 1.78 108.893 172.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 8.6 t -63.17 -31.4 52.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 CA-C-N 115.613 -0.721 . . . . 1.15 109.514 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -59.04 -50.69 73.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 1.1 110.714 176.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 76' ' ' SER . 1.4 mp -58.15 -38.77 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.313 -0.858 . . . . 1.09 110.311 177.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.545 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -75.39 -37.44 60.51 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.716 -176.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -64.9 -35.37 80.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.572 0.701 . . . . 1.1 109.294 173.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.613 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 13.3 mttp -75.84 -20.76 57.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.292 -0.867 . . . . 2.26 111.105 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.87 -24.94 62.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.27 0.557 . . . . 1.24 109.654 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.83 -57.51 3.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.45 -0.795 . . . . 1.1 111.286 173.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.435 ' C ' ' H ' ' A' ' 88' ' ' HIS . 38.6 t60 -83.41 -57.85 3.07 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 3.4 111.783 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.53 ' C ' ' H ' ' A' ' 89' ' ' THR . 21.2 t80 -83.46 22.4 1.05 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 2.64 110.148 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 92' ' ' GLU . 6.2 p-80 -47.12 19.97 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.556 1.942 . . . . 4.09 116.186 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 87' ' ' TYR . 39.5 p -67.99 -44.9 75.57 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.925 -0.485 . . . . 1.46 111.211 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -133.08 15.59 4.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 4.28 110.436 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -118.35 18.19 13.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.499 -0.773 . . . . 3.47 109.211 175.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 8.2 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.945 -1.025 . . . . 7.09 109.084 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.848 0.356 . . . . 6.8 110.755 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -83.87 -53.32 5.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.081 0.467 . . . . 4.76 110.56 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.634 ' HA ' ' CD2' ' B' ' 7' ' ' HIS . 9.4 ptpp? -95.28 15.47 19.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 6.35 110.655 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' B' ' 5' ' ' GLU . 61.9 tp -49.76 101.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.138 0.899 . . . . 4.87 111.806 -175.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 9.8 pt-20 58.9 -38.47 0.06 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.094 1.757 . . . . 3.1 114.515 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.26 -42.48 63.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 2.51 111.177 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.634 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 16.7 m-70 -75.63 -55.17 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.415 -0.357 . . . . 2.85 110.446 -176.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.545 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 56.8 mt -62.35 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 1.1 111.526 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.32 -26.92 63.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.672 -0.695 . . . . 2.41 109.945 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.61 92.1 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.941 -0.647 . . . . 0.48 112.493 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.4 mt -66.24 -42.13 90.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.242 -0.651 . . . . 1.84 109.242 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.546 ' O ' ' HB3' ' B' ' 15' ' ' PHE . 70.0 t -64.73 -33.53 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.727 -1.124 . . . . 1.22 111.2 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.66 -43.56 93.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.95 111.266 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.421 ' CG2' ' HZ3' ' A' ' 3' ' ' LYS . 35.4 mm -71.89 -23.83 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.004 0.43 . . . . 2.55 110.198 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.546 ' HB3' ' O ' ' B' ' 12' ' ' VAL . 61.7 t80 -59.48 -42.53 92.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.276 -0.639 . . . . 3.26 109.276 171.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.41 -21.91 61.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.258 -0.883 . . . . 2.85 110.647 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -68.89 -57.53 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 3.5 112.34 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.646 ' CD1' ' HB3' ' B' ' 32' ' ' GLU . 25.5 p90 -65.73 -27.06 68.04 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.45 -0.5 . . . . 6.62 111.525 -174.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -126.05 81.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.96 0.41 . . . . 3.15 110.52 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.79 142.42 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.96 -0.564 . . . . 4.57 110.265 177.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -89.07 -8.13 54.5 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.977 -0.556 . . . . 7.92 110.084 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.85 -37.1 86.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.759 -0.655 . . . . 9.06 109.494 173.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.78 84.26 0.44 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.475 -1.05 . . . . 5.77 110.475 173.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -51.99 129.21 26.56 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.305 0.574 . . . . 8.99 112.04 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -169.06 -44.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.168 -1.049 . . . . 8.34 108.168 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 47.56 52.43 12.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 114.63 -1.168 . . . . 5.62 112.292 168.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.5 m -119.53 86.86 2.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.251 0.548 . . . . 4.38 109.671 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -83.02 61.84 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.317 -0.856 . . . . 3.39 110.543 -175.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -85.84 -172.76 4.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.469 -0.332 . . . . 1.88 111.466 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.43 -27.29 68.42 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.99 -0.284 . . . . 1.93 111.341 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.02 99.67 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.584 -0.817 . . . . 0.46 111.942 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.646 ' HB3' ' CD1' ' B' ' 18' ' ' TYR . 10.9 mm-40 -69.34 -42.06 75.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 2.43 110.443 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 23.5 tp -62.51 -51.47 67.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.229 -0.896 . . . . 1.18 109.635 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.38 -45.93 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.458 -0.792 . . . . 2.4 111.112 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.48 -58.72 6.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.181 -0.463 . . . . 2.62 110.027 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 9.4 tt -54.33 -51.7 63.87 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 123.289 0.368 . . . . 1.11 110.591 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.0 mt -58.83 -49.68 76.83 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.723 0.638 . . . . 1.18 112.723 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 29.6 p -66.34 -31.48 72.3 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.073 0.397 . . . . 1.64 112.073 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -96.56 -22.68 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.803 0.668 . . . . 2.17 112.803 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 25.7 mm-40 -103.41 -46.43 4.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.935 0.398 . . . . 1.67 111.8 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 8' ' ' LEU . 15.8 mt -107.17 22.14 16.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.1 -0.5 . . . . 2.07 109.735 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -48.05 -34.71 9.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.738 -1.119 . . . . 1.25 112.902 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -122.06 35.84 4.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.403 0.62 . . . . 2.69 110.657 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 16.7 m -119.81 -62.68 1.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.545 . . . . 1.19 109.972 174.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 57.1 mt -84.9 133.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.251 -0.886 . . . . 1.13 109.742 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.472 ' HB3' ' N ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -53.15 127.04 22.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.346 0.404 . . . . 2.14 110.856 -178.621 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 9.2 m120 48.44 39.64 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.84 0.712 . . . . 1.62 111.418 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.0 tp -62.62 -8.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 122.049 0.928 . . . . 1.19 110.277 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.76 -12.61 53.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.709 -1.132 . . . . 1.76 110.159 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.6 128.91 35.02 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 115.643 -0.708 . . . . 1.59 110.617 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.48 68.07 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.44 -0.8 . . . . 1.5 109.894 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.74 78.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.507 0.67 . . . . 1.32 109.365 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.437 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -74.22 -45.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.5 -1.227 . . . . 1.23 109.509 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.05 -38.68 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.885 -1.052 . . . . 1.1 111.386 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 1.0 OUTLIER -66.51 -43.25 85.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.055 -0.72 . . . . 1.53 109.055 -178.671 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -51.0 -47.08 61.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.162 -0.926 . . . . 1.77 110.981 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 63.4 mt -71.93 -53.03 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.819 -0.628 . . . . 1.62 110.872 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.468 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 87.9 t80 -52.2 -48.56 65.0 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.357 -0.838 . . . . 2.59 110.77 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.568 ' HA ' HE21 ' B' ' 59' ' ' GLN . 0.0 OUTLIER -68.22 -25.82 65.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.682 -0.69 . . . . 2.08 110.723 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.69 -31.45 70.52 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.801 -0.714 . . . . 0.56 111.833 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -90.57 -39.91 12.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.53 -0.544 . . . . 1.14 109.53 178.754 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -77.62 70.13 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.608 0.718 . . . . 1.4 110.011 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.22 -17.3 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.561 -0.745 . . . . 1.46 111.003 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -87.4 -11.3 49.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.266 0.555 . . . . 3.55 110.163 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.11 43.39 14.3 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.14 -0.936 . . . . 3.2 110.571 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.88 -10.95 21.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.504 -0.771 . . . . 2.14 109.744 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.468 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 34.2 mt-10 65.06 30.4 11.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.731 -1.122 . . . . 2.01 111.637 -177.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.31 120.49 13.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.984 -0.553 . . . . 2.47 110.544 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.54 114.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.614 -0.721 . . . . 2.42 110.797 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.517 ' HB3' ' HG2' ' B' ' 73' ' ' GLU . 21.3 t70 -78.79 166.8 22.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.302 -0.629 . . . . 2.02 109.302 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.468 ' HD1' ' CZ ' ' B' ' 15' ' ' PHE . 1.6 m-85 -56.31 -37.04 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.327 0.584 . . . . 2.98 110.15 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.545 ' HB2' ' HZ1' ' A' ' 83' ' ' LYS . 61.8 tt0 -69.02 -40.52 78.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.353 -0.839 . . . . 2.16 110.663 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.517 ' HG2' ' HB3' ' B' ' 70' ' ' ASP . 2.5 mm-40 -73.29 -30.52 63.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.634 -0.712 . . . . 1.99 109.858 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.573 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 80.6 t80 -70.44 -23.03 62.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.593 0.711 . . . . 2.55 109.498 173.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.613 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.7 mt -70.59 -40.58 77.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.412 -0.813 . . . . 1.32 109.465 176.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.641 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.0 p -69.41 -23.19 63.68 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.068 -0.514 . . . . 1.28 110.246 173.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.573 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.2 tm? -60.88 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.92 -0.77 . . . . 1.78 108.92 172.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 8.9 t -63.26 -31.29 52.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-N 115.562 -0.744 . . . . 1.15 109.473 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.14 -50.77 72.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.078 -0.51 . . . . 1.11 110.678 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.641 HD13 ' O ' ' B' ' 76' ' ' SER . 1.4 mp -58.09 -38.68 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 1.09 110.29 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.531 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -75.55 -37.32 60.06 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.514 -0.766 . . . . 1.0 111.706 -176.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.2 mt -65.0 -35.19 80.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.56 0.695 . . . . 1.1 109.376 173.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.618 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 13.4 mttp -75.93 -20.78 57.69 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.298 -0.865 . . . . 2.26 111.097 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.9 -24.9 62.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.317 0.579 . . . . 1.24 109.562 173.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.05 -57.69 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.439 -0.801 . . . . 1.1 111.127 173.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.451 ' C ' ' H ' ' B' ' 88' ' ' HIS . 39.0 t60 -83.13 -58.11 2.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.929 0.395 . . . . 3.39 111.637 -174.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.543 ' C ' ' H ' ' B' ' 89' ' ' THR . 20.9 t80 -83.21 22.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.177 0.591 . . . . 2.64 110.209 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.525 ' HB2' ' HB3' ' B' ' 92' ' ' GLU . 6.2 p-80 -47.25 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.663 1.985 . . . . 4.09 116.187 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.543 ' H ' ' C ' ' B' ' 87' ' ' TYR . 41.2 p -67.77 -45.15 75.69 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.935 -0.478 . . . . 1.47 111.264 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -132.78 15.21 4.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.378 0.609 . . . . 4.28 110.513 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.407 ' HD2' ' HB3' ' B' ' 83' ' ' LYS . 66.3 mttm -118.18 18.26 13.82 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.427 -0.806 . . . . 3.47 109.252 174.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.525 ' HB3' ' HB2' ' B' ' 88' ' ' HIS . 8.2 tp10 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 114.99 -1.004 . . . . 7.08 109.459 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HE3' ' OE2' ' B' ' 40' ' ' GLU . 95.9 mmm . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.669 -0.493 . . . . 6.79 109.669 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.564 ' O ' ' HA ' ' B' ' 40' ' ' GLU . 87.3 m -112.1 106.31 14.91 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.296 -0.411 . . . . 4.76 109.933 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -115.03 -4.57 12.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.812 0.815 . . . . 6.36 109.752 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -133.97 153.07 52.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.277 -1.008 . . . . 4.86 108.277 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.511 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 0.0 OUTLIER -78.87 37.67 0.31 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.074 0.398 . . . . 3.1 112.074 -173.44 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 35.4 mt-10 -61.59 -33.97 74.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.341 0.591 . . . . 2.51 110.485 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.42 -58.61 3.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.822 -0.626 . . . . 2.85 110.525 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.521 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 82.0 mt -64.0 -60.07 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 1.1 111.453 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.35 -25.03 64.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.566 -0.531 . . . . 2.41 109.566 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.597 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.71 -43.43 97.81 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.864 -0.684 . . . . 0.48 112.496 174.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.26 -45.93 92.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.185 0.517 . . . . 1.84 109.869 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.565 ' CG1' ' HB2' ' B' ' 86' ' ' HIS . 4.1 t -51.03 -42.85 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.371 -0.831 . . . . 1.22 111.4 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.43 -34.54 77.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 1.95 111.126 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.6 mm -68.05 -41.27 84.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 120.832 0.349 . . . . 2.55 110.207 177.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 74' ' ' PHE . 22.3 m-85 -58.56 -49.75 76.31 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.044 -0.724 . . . . 3.26 109.044 173.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.83 -21.27 64.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.026 -0.988 . . . . 2.85 111.326 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.47 ' HG2' ' SD ' ' B' ' 1' ' ' MET . 7.3 tp-100 -71.3 -56.13 6.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.372 -0.377 . . . . 3.5 111.599 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.428 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 36.7 t80 -85.11 -52.93 5.6 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 119.269 -0.973 . . . . 6.61 110.577 -179.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -89.13 111.09 21.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.999 0.428 . . . . 3.15 110.048 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.75 -179.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.038 -0.528 . . . . 4.58 110.908 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -64.33 155.69 31.45 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.938 -0.305 . . . . 7.92 110.565 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HE2' ' OD2' ' A' ' 26' ' ' ASP . 55.8 mtpt -67.03 -89.0 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.302 -0.408 . . . . 9.05 111.558 -172.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.65 -73.44 0.62 Allowed Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.104 -0.57 . . . . 5.75 112.406 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -129.73 153.75 47.87 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.087 -0.708 . . . . 8.99 109.087 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.6 t80 57.14 63.49 1.88 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.566 0.698 . . . . 8.34 109.5 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.499 ' OD2' ' HE2' ' A' ' 22' ' ' LYS . 6.3 m-20 -74.81 84.63 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.086 -0.961 . . . . 5.62 110.905 -174.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t -165.69 115.44 1.02 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.341 0.591 . . . . 4.37 111.273 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 2.1 mm? -101.24 121.29 41.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 3.39 107.987 172.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 m -104.73 -172.92 2.19 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.829 0.677 . . . . 1.87 112.829 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 2.1 ttmp? -66.86 -35.88 81.05 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.311 -0.404 . . . . 1.93 111.034 -177.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.97 -44.02 87.83 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 121.293 -0.479 . . . . 0.47 113.186 -177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 32.4 mt-10 -66.33 -39.67 89.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.081 0.467 . . . . 2.44 110.642 -178.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.4 tp -62.52 -46.05 90.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.795 . . . . 1.18 109.636 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 59.9 tttm -56.02 -45.44 79.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.343 -0.844 . . . . 2.4 111.472 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.633 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.0 mp0 -57.67 -61.26 2.64 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.014 -0.274 . . . . 2.62 110.336 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.3 tt -49.14 -43.89 42.12 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 123.856 0.722 . . . . 1.11 110.974 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 91.2 mt -68.27 -50.86 50.88 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.262 0.467 . . . . 1.18 112.262 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.47 HG23 ' HA ' ' A' ' 49' ' ' LYS . 31.7 p -65.79 -29.29 69.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.384 -0.371 . . . . 1.64 111.804 -175.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.9 ptmt -96.88 -39.87 9.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.678 0.621 . . . . 2.17 112.678 -177.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.554 ' HA ' ' O ' ' B' ' 2' ' ' THR . 10.3 mm-40 -92.86 -46.48 7.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.855 0.36 . . . . 1.67 111.532 -170.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.5 mt -102.87 23.32 12.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.227 0.536 . . . . 2.07 109.803 -174.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.864 -1.062 . . . . 1.25 111.97 -178.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -110.8 25.1 12.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.89 -0.595 . . . . 2.69 110.632 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.53 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 13.4 m -120.41 -65.57 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.54 . . . . 1.19 110.683 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.527 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 46.1 mt -84.16 137.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.024 -0.989 . . . . 1.14 110.645 -174.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -58.7 127.36 31.81 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.596 -0.275 . . . . 2.14 110.566 -179.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.438 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 3.9 m-20 48.65 39.5 13.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.501 -0.772 . . . . 1.62 110.931 175.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.527 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 9.1 tp -63.21 -8.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 122.247 1.022 . . . . 1.19 110.032 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' A' ' 38' ' ' THR . 14.1 mmmm -82.27 -12.28 58.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.45 -1.25 . . . . 1.76 109.893 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.5 133.34 35.12 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 121.493 0.664 . . . . 1.58 110.686 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.45 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -62.19 -27.47 69.0 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.638 -1.165 . . . . 1.51 110.77 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.86 74.08 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.664 0.745 . . . . 1.33 109.469 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.6 t -76.78 -42.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.781 -1.1 . . . . 1.23 109.41 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.409 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.4 mt -61.91 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.203 -0.908 . . . . 1.1 111.101 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 17.0 t70 -60.63 -54.25 47.63 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 115.526 -0.761 . . . . 1.53 109.466 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -45.6 -46.18 14.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.311 -0.859 . . . . 1.77 111.439 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 53' ' ' VAL . 51.8 mt -69.21 -57.6 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.22 -0.446 . . . . 1.62 111.047 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.486 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 91.8 t80 -55.9 -44.51 78.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 2.59 110.941 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 71.7 mm-40 -62.15 -29.49 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.863 -0.608 . . . . 2.08 109.986 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.53 -22.44 75.35 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.56 112.987 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -97.05 -41.44 8.36 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 117.315 0.558 . . . . 1.14 109.903 179.699 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.21 76.67 0.09 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.138 0.899 . . . . 1.4 110.693 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.67 -16.35 54.21 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.816 -1.084 . . . . 1.46 109.441 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.29 -20.42 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.919 -1.037 . . . . 3.54 109.963 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 60.05 34.44 21.37 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 114.623 -1.172 . . . . 3.2 111.545 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -135.36 17.05 3.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.812 0.815 . . . . 2.13 109.66 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 60.99 52.8 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.526 -1.215 . . . . 2.02 109.982 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -134.55 116.84 15.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.532 -0.758 . . . . 2.47 109.673 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 4.6 p -103.69 107.97 23.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 121.542 0.686 . . . . 2.42 110.507 176.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.85 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.649 . . . . 2.02 109.535 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -61.61 -26.54 68.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.994 0.426 . . . . 2.97 110.92 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.594 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 51.8 tt0 -70.45 -35.44 73.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.309 0.576 . . . . 2.16 110.364 172.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 35.0 mt-10 -80.43 -29.95 37.61 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 1.99 109.989 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 22.9 m-85 -62.32 -27.59 69.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.326 0.584 . . . . 2.55 109.536 166.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -68.38 -40.43 82.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.362 -0.836 . . . . 1.31 109.328 176.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.54 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 49.1 m -59.84 -36.06 76.04 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.538 -0.756 . . . . 1.27 109.884 173.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.563 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 7.1 tp -57.63 -46.31 84.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.78 110.731 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.9 t -67.21 -25.89 34.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 1.15 109.817 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -61.93 -48.81 78.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.287 0.565 . . . . 1.1 109.597 172.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.531 HD11 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -62.24 -37.59 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.166 -0.924 . . . . 1.09 110.405 176.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.51 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -76.97 -38.43 53.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.908 -0.587 . . . . 1.0 112.388 -174.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.9 mt -69.22 -36.11 76.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.625 0.726 . . . . 1.1 109.092 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -59.55 -38.39 80.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.729 -1.123 . . . . 2.26 109.891 171.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.09 -22.95 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.845 . . . . 1.24 111.666 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.3 -58.55 2.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.516 -0.311 . . . . 1.1 111.539 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.549 ' HB2' ' CG1' ' B' ' 12' ' ' VAL . 72.7 t60 -86.21 -50.64 6.83 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.292 0.479 . . . . 3.4 112.292 -174.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.549 ' O ' HG22 ' A' ' 89' ' ' THR . 4.6 t80 -89.74 23.04 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.766 -0.457 . . . . 2.64 109.766 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.575 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 3.7 p80 -45.74 20.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 117.029 2.233 . . . . 4.09 117.029 -174.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 87' ' ' TYR . 4.5 t -62.98 -33.69 75.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 118.738 0.699 . . . . 1.46 112.865 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.526 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 27.3 t60 -140.78 -6.74 1.11 Allowed 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.052 -0.405 . . . . 4.28 111.591 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 61.4 mttp -99.34 19.21 15.91 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.645 -0.502 . . . . 3.47 109.645 172.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.575 ' CB ' ' HB2' ' A' ' 88' ' ' HIS . 6.1 tm-20 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.264 -0.874 . . . . 7.09 109.153 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.47 ' SD ' ' HG2' ' A' ' 17' ' ' GLN . 95.5 mmm . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.869 -0.419 . . . . 6.8 109.869 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.554 ' O ' ' HA ' ' A' ' 40' ' ' GLU . 86.6 m -112.51 106.06 14.43 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.049 0.452 . . . . 4.76 109.912 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -114.47 -5.19 12.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.704 0.764 . . . . 6.35 109.861 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 47.3 tp -133.67 153.1 51.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.18 -1.044 . . . . 4.87 108.18 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.53 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 0.0 OUTLIER -79.02 37.9 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.085 0.402 . . . . 3.1 112.085 -173.398 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.445 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 34.8 mt-10 -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.444 0.64 . . . . 2.51 110.483 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.54 -58.56 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.815 -0.63 . . . . 2.85 110.489 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.51 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 82.3 mt -63.98 -59.96 3.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 1.1 111.509 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -68.6 -24.87 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 2.41 109.64 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.59 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.95 -43.32 97.63 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.793 -0.718 . . . . 0.48 112.41 174.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.27 -46.04 91.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 1.84 109.819 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 86' ' ' HIS . 4.1 t -51.05 -42.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.297 -0.865 . . . . 1.22 111.495 171.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -67.32 -34.84 78.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.637 -0.71 . . . . 1.95 111.048 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.59 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.5 mm -67.97 -41.12 84.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-O 120.816 0.341 . . . . 2.55 110.235 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 74' ' ' PHE . 22.3 m-85 -58.63 -49.94 75.65 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.035 -0.728 . . . . 3.26 109.035 173.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.64 -21.57 64.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.079 -0.964 . . . . 2.85 111.119 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.448 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 7.4 tp-100 -71.06 -56.17 6.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.565 -0.289 . . . . 3.5 111.513 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.416 ' CE2' ' HA ' ' B' ' 32' ' ' GLU . 36.3 t80 -84.83 -53.03 5.6 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 119.279 -0.969 . . . . 6.62 110.64 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p -89.1 111.16 21.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.064 0.459 . . . . 3.15 110.033 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.76 -179.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.013 -0.54 . . . . 4.57 110.891 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -64.29 155.56 31.74 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.028 -0.269 . . . . 7.92 110.536 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.468 ' HE2' ' OD2' ' B' ' 26' ' ' ASP . 55.7 mtpt -67.08 -88.93 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.325 -0.398 . . . . 9.06 111.579 -172.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.69 -73.88 0.61 Allowed Glycine 0 C--O 1.228 -0.22 0 C-N-CA 120.941 -0.647 . . . . 5.77 112.271 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -129.42 153.95 47.42 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.038 -0.727 . . . . 8.99 109.038 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 56.97 63.43 1.93 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.567 0.699 . . . . 8.34 109.49 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.468 ' OD2' ' HE2' ' B' ' 22' ' ' LYS . 6.4 m-20 -74.65 84.88 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.073 -0.967 . . . . 5.62 110.936 -174.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.1 t -165.91 115.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.367 0.604 . . . . 4.38 111.206 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' B' ' 69' ' ' VAL . 2.1 mm? -101.46 121.17 41.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.0 -1.111 . . . . 3.39 108.0 172.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -104.69 -172.88 2.18 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.776 0.658 . . . . 1.88 112.776 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 2.1 ttmp? -66.85 -35.86 81.0 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.29 -0.414 . . . . 1.93 111.119 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.12 87.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.31 -0.471 . . . . 0.46 113.166 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.416 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 32.7 mt-10 -66.36 -39.7 89.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 2.43 110.713 -178.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.8 tp -62.28 -46.15 90.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.429 -0.805 . . . . 1.18 109.675 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.416 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 59.7 tttm -56.0 -45.48 79.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.357 -0.838 . . . . 2.4 111.556 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.623 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.0 mp0 -57.43 -61.51 2.44 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.277 -0.268 . . . . 2.62 110.277 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.3 tt -49.2 -43.54 42.41 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.812 0.695 . . . . 1.11 111.027 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 90.3 mt -68.5 -50.9 48.82 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 112.276 0.473 . . . . 1.18 112.276 -177.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.462 HG23 ' HA ' ' B' ' 49' ' ' LYS . 28.7 p -65.78 -28.97 69.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.373 -0.376 . . . . 1.64 111.766 -175.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 17.9 ptmt -97.17 -40.07 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.6 0.592 . . . . 2.17 112.6 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.564 ' HA ' ' O ' ' A' ' 2' ' ' THR . 9.8 mm-40 -92.74 -46.39 7.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.928 0.394 . . . . 1.67 111.6 -170.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 mt -102.82 23.23 12.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.218 0.532 . . . . 2.07 109.818 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.512 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -56.21 -30.35 62.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.817 -1.083 . . . . 1.25 111.937 -178.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -111.05 24.83 12.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.92 -0.582 . . . . 2.69 110.74 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.511 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 12.3 m -120.23 -66.16 1.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.279 0.561 . . . . 1.19 110.502 177.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 46.6 mt -83.65 137.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.119 -0.946 . . . . 1.13 110.499 -173.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -58.89 127.26 31.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.538 -0.301 . . . . 2.14 110.674 -179.159 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.425 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 3.9 m-20 48.74 39.54 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.56 -0.746 . . . . 1.62 110.837 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -63.25 -8.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 122.284 1.04 . . . . 1.19 110.023 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.462 ' HA ' HG23 ' B' ' 38' ' ' THR . 14.0 mmmm -82.46 -12.07 58.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.32 -1.309 . . . . 1.76 109.959 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.68 133.54 35.07 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.492 0.663 . . . . 1.59 110.639 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.458 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -62.36 -27.24 68.93 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.591 -1.186 . . . . 1.5 110.68 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.96 74.24 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.603 0.716 . . . . 1.32 109.484 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.522 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.4 t -76.83 -42.24 33.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.652 -1.158 . . . . 1.23 109.405 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.6 mt -61.81 -39.72 84.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 1.1 111.148 174.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 16.5 t70 -60.59 -54.28 47.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.512 -0.767 . . . . 1.53 109.456 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -45.64 -45.93 14.28 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.291 -0.868 . . . . 1.77 111.461 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 53' ' ' VAL . 52.3 mt -69.48 -57.47 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 116.241 -0.436 . . . . 1.62 111.066 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.484 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 91.6 t80 -55.84 -44.65 78.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.951 -0.568 . . . . 2.59 110.999 -176.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.1 mm-40 -62.05 -28.97 69.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.777 -0.647 . . . . 2.08 110.105 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.91 -22.47 74.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.56 113.081 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -97.04 -41.45 8.36 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 117.301 0.551 . . . . 1.14 109.791 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.23 76.51 0.09 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.962 0.887 . . . . 1.4 110.762 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.53 -16.31 54.55 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.899 -1.046 . . . . 1.46 109.38 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.36 -20.25 61.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.864 -1.062 . . . . 3.55 110.043 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 59.81 34.39 21.86 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.635 -1.166 . . . . 3.2 111.558 173.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -135.39 16.85 3.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.694 0.759 . . . . 2.14 109.642 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 60.92 53.02 3.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.67 -1.15 . . . . 2.01 110.045 -174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -134.71 116.44 14.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.46 -0.791 . . . . 2.47 109.786 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' B' ' 28' ' ' LEU . 4.7 p -103.36 108.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.515 0.674 . . . . 2.42 110.44 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.07 167.8 21.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.794 -0.639 . . . . 2.02 109.417 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 2.98 110.918 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.591 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 51.7 tt0 -70.81 -35.27 72.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 2.16 110.378 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 35.1 mt-10 -80.52 -29.96 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.936 -0.575 . . . . 1.99 110.039 178.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 22.7 m-85 -62.42 -27.58 69.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.417 0.627 . . . . 2.55 109.488 166.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.591 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -68.38 -40.36 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.334 -0.848 . . . . 1.32 109.398 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.538 ' O ' ' HB1' ' B' ' 79' ' ' ALA . 50.7 m -59.81 -36.13 76.12 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.545 -0.752 . . . . 1.28 109.927 173.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.554 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 7.0 tp -57.45 -46.44 83.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.827 0.346 . . . . 1.78 110.731 176.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.442 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 10.0 t -67.26 -25.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.152 -0.476 . . . . 1.15 109.881 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -61.8 -49.18 77.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.283 0.564 . . . . 1.11 109.513 172.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.52 HD11 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -61.97 -37.54 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.13 -0.941 . . . . 1.09 110.498 176.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.521 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -77.06 -38.39 52.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.605 . . . . 1.0 112.348 -174.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.9 mt -69.24 -36.08 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.761 . . . . 1.1 109.143 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -59.59 -38.5 81.4 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.683 -1.144 . . . . 2.26 109.86 172.014 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.16 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.287 -0.869 . . . . 1.24 111.742 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.407 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.11 -58.74 2.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.438 -0.346 . . . . 1.1 111.472 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.565 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 71.9 t60 -86.32 -50.25 7.07 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.278 0.473 . . . . 3.39 112.278 -174.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.533 ' O ' HG22 ' B' ' 89' ' ' THR . 4.5 t80 -89.87 23.13 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 2.64 109.811 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.585 ' HB2' ' CB ' ' B' ' 92' ' ' GLU . 3.7 p80 -45.97 20.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.912 2.19 . . . . 4.09 116.912 -174.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 87' ' ' TYR . 4.3 t -62.61 -34.53 77.2 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.756 0.707 . . . . 1.47 112.841 -177.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.535 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 27.1 t60 -140.12 -6.83 1.22 Allowed 'General case' 0 N--CA 1.47 0.526 0 O-C-N 122.003 -0.436 . . . . 4.28 111.571 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' B' ' 45' ' ' ILE . 61.4 mttp -99.15 18.93 16.24 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.658 -0.497 . . . . 3.47 109.658 172.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.585 ' CB ' ' HB2' ' B' ' 88' ' ' HIS . 6.0 tm-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.517 -0.754 . . . . 7.08 109.196 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' H3 ' ' CD ' ' B' ' 40' ' ' GLU . 52.3 ttm . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.557 0.218 . . . . 6.79 110.752 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -153.46 68.26 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.793 0.806 . . . . 4.76 110.553 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -112.87 16.44 19.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 6.36 109.673 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 6' ' ' GLU . 8.6 mp 66.36 -177.56 0.19 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.938 -1.028 . . . . 4.86 111.77 177.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.446 ' CD ' ' HB3' ' B' ' 43' ' ' ASN . 3.9 mp0 -83.94 11.08 8.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.16 -0.927 . . . . 3.1 108.912 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 38.7 tt0 -61.2 -18.57 58.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.306 -1.315 . . . . 2.51 111.849 -174.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.432 ' HA ' ' HA ' ' B' ' 7' ' ' HIS . 78.8 m-70 -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.403 -0.592 . . . . 2.85 109.403 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' B' ' 81' ' ' ALA . 41.6 mt -65.03 -59.74 3.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.897 -1.047 . . . . 1.1 111.249 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.07 -21.95 66.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 2.41 110.569 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.68 -35.76 74.5 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.724 -0.75 . . . . 0.48 112.149 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.87 -38.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.942 0.877 . . . . 1.84 109.582 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG21 ' HB1' ' B' ' 85' ' ' ALA . 99.0 t -69.3 -41.48 81.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.888 -1.051 . . . . 1.22 111.774 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -80.04 -19.29 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.065 0.395 . . . . 1.95 112.065 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 pt -79.52 -31.68 14.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.082 -0.647 . . . . 2.55 110.26 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.21 -43.68 73.63 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.529 -0.915 . . . . 3.26 108.529 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -57.86 -32.52 67.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.752 -1.113 . . . . 2.85 110.17 174.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.88 -53.72 19.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.585 -0.734 . . . . 3.5 112.148 -174.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -85.22 -44.06 13.24 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.087 -0.645 . . . . 6.61 111.663 -175.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.3 m -65.45 -73.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.055 0.391 . . . . 3.15 112.055 -174.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.479 HG11 ' CD2' ' A' ' 24' ' ' HIS . 9.3 p -178.12 166.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 110.377 -0.231 . . . . 4.58 110.377 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -56.59 118.21 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.031 0.443 . . . . 7.92 110.912 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 67.0 -68.54 0.15 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.239 -0.891 . . . . 9.05 111.806 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.23 160.61 10.7 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.043 -0.598 . . . . 5.75 112.029 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.479 ' CD2' HG11 ' A' ' 20' ' ' VAL . 3.4 m170 -103.09 -178.47 3.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.549 0.214 . . . . 8.99 110.461 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -93.19 -63.68 1.18 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.994 0.426 . . . . 8.34 110.525 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -99.09 -19.97 16.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 5.62 110.848 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -78.72 75.68 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 4.37 110.592 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 68' ' ' GLN . 78.1 mt -145.88 64.44 1.23 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.669 -0.696 . . . . 3.39 109.188 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 m -103.58 -172.7 2.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.844 0.683 . . . . 1.87 112.844 -170.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 25.0 ttmt -75.64 -24.94 56.49 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.93 111.503 -174.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.09 -58.55 13.99 Favored Glycine 0 C--N 1.327 0.075 0 C-N-CA 121.035 -0.602 . . . . 0.47 113.117 -176.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -63.28 -38.32 90.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.002 0.429 . . . . 2.44 111.22 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 16.5 tp -55.06 -50.08 70.01 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.215 -0.902 . . . . 1.18 109.421 175.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 60.7 tttm -56.05 -46.83 78.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.663 -1.153 . . . . 2.4 111.437 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.2 mp0 -56.4 -60.21 3.85 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 110.201 -0.296 . . . . 2.62 110.201 174.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -48.97 -50.59 34.93 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.762 0.664 . . . . 1.11 110.743 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.1 mt -60.28 -50.06 75.15 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.357 0.503 . . . . 1.18 112.357 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.517 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 50.8 p -70.34 -27.75 64.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.071 0.397 . . . . 1.64 112.071 -174.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -97.62 -31.3 12.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.699 0.629 . . . . 2.17 112.699 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' CD ' ' H3 ' ' B' ' 1' ' ' MET . 63.6 mm-40 -101.07 -39.54 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 1.67 111.289 -172.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.81 20.95 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.744 -0.465 . . . . 2.07 109.744 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 38' ' ' THR . . . -52.8 -30.88 35.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.065 -0.97 . . . . 1.25 112.706 -176.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.46 ' HB3' ' CD ' ' B' ' 5' ' ' GLU . 65.5 t30 -115.68 26.09 10.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.033 0.444 . . . . 2.69 111.395 -173.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -118.87 -64.19 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.283 0.564 . . . . 1.19 110.345 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 44.7 mt -81.58 132.45 31.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.302 -0.863 . . . . 1.14 110.009 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 1.9 pptp? -54.85 124.26 16.03 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.814 0.34 . . . . 2.14 110.604 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 48.82 43.74 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.295 -0.866 . . . . 1.62 111.568 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -61.93 -9.17 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.993 0.902 . . . . 1.19 110.2 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.5 OUTLIER -79.14 -13.21 59.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.959 -1.018 . . . . 1.76 110.049 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.34 127.78 35.19 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.652 -0.704 . . . . 1.58 111.129 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 21.4 tptp -64.1 -24.96 67.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.765 -1.107 . . . . 1.51 110.699 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.97 63.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.466 -0.568 . . . . 1.33 109.466 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.3 t -73.31 -44.54 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.144 -0.935 . . . . 1.23 108.994 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.413 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 73.0 mt -64.35 -37.41 79.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.859 -1.064 . . . . 1.1 111.365 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.628 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -63.37 -43.99 96.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.143 -0.688 . . . . 1.53 109.143 -178.357 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -53.99 -45.56 71.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.625 -1.171 . . . . 1.77 111.185 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 43.0 mt -68.71 -56.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.257 -0.429 . . . . 1.62 110.413 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 2.6 t80 -48.88 -47.41 43.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.342 -0.845 . . . . 2.59 111.159 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -64.6 -31.84 73.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.983 -0.553 . . . . 2.08 110.93 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.93 -22.33 78.79 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.873 -0.68 . . . . 0.56 112.351 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -96.69 -44.64 7.02 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.675 -0.491 . . . . 1.14 109.675 179.119 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -79.45 79.14 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.461 0.648 . . . . 1.4 109.959 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.66 70.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.033 -0.985 . . . . 1.46 111.463 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.38 -18.87 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.185 0.516 . . . . 3.54 111.034 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 63.98 52.26 2.11 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.985 -1.007 . . . . 3.2 111.817 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -108.48 8.76 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.108 0.48 . . . . 2.13 110.234 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 tt0 64.52 43.21 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.969 -1.014 . . . . 2.02 109.865 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 22.9 mt-30 -138.77 116.65 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.103 -0.953 . . . . 2.47 110.136 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -106.77 107.92 23.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.866 -0.606 . . . . 2.42 110.194 175.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.25 168.22 17.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.072 -0.513 . . . . 2.02 110.406 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.14 -31.15 66.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 2.97 110.934 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.2 tt0 -74.14 -36.33 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.365 0.603 . . . . 2.16 110.69 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -76.28 -29.01 57.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.493 0.663 . . . . 1.99 109.853 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 78' ' ' VAL . 45.3 t80 -70.59 -23.86 62.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.597 -0.729 . . . . 2.55 109.178 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.482 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.77 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.25 -0.886 . . . . 1.31 109.668 175.275 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.605 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 1.6 p -69.3 -24.21 63.91 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.21 -0.45 . . . . 1.27 110.453 174.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 33' ' ' LEU . 8.1 tt -65.68 -41.73 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.425 -0.583 . . . . 1.78 109.425 174.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -64.31 -28.14 44.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 115.71 -0.677 . . . . 1.15 109.445 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -60.75 -51.93 67.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.125 0.488 . . . . 1.1 109.963 174.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.81 -37.63 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.507 -0.769 . . . . 1.09 110.275 175.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' B' ' 8' ' ' LEU . . . -76.27 -34.52 59.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.631 -0.713 . . . . 1.0 112.242 -176.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 97.3 mt -72.02 -34.54 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.447 0.641 . . . . 1.1 109.441 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -68.64 -30.58 69.32 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.268 -0.878 . . . . 2.26 109.976 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 81' ' ' ALA . . . -63.02 -39.5 94.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.998 0.427 . . . . 1.24 110.634 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.431 ' HB1' HG21 ' B' ' 12' ' ' VAL . . . -70.51 -55.39 9.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.747 -0.661 . . . . 1.1 112.162 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 83' ' ' LYS . 18.9 p-80 -86.11 -39.88 16.27 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.989 0.423 . . . . 3.4 111.82 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.544 ' C ' ' H ' ' A' ' 89' ' ' THR . 35.9 t80 -89.82 22.64 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.535 0.734 . . . . 2.64 109.786 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -46.34 20.47 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.238 1.94 . . . . 4.09 116.238 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.544 ' H ' ' C ' ' A' ' 87' ' ' TYR . 9.7 t -87.38 -8.85 56.13 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.368 -0.833 . . . . 1.46 111.259 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.586 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.2 t60 -160.73 -24.8 0.06 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.561 0.208 . . . . 4.28 111.561 -177.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -92.73 10.73 29.52 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.22 -0.592 . . . . 3.47 109.948 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' CA ' ' HB3' ' A' ' 46' ' ' LYS . 2.1 tm-20 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.119 -0.946 . . . . 7.09 108.587 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.485 ' H3 ' ' CD ' ' A' ' 40' ' ' GLU . 51.6 ttm . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.411 0.148 . . . . 6.8 110.817 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.4 t -153.98 68.42 0.76 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.936 0.874 . . . . 4.76 110.473 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -113.0 16.31 19.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.863 -0.608 . . . . 6.35 109.698 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' B' ' 6' ' ' GLU . 8.6 mp 66.52 -177.61 0.2 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.063 -0.971 . . . . 4.87 111.783 177.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.46 ' CD ' ' HB3' ' A' ' 43' ' ' ASN . 3.9 mp0 -83.76 10.73 8.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.205 -0.907 . . . . 3.1 109.029 177.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.484 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 38.1 tt0 -60.93 -18.67 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.259 -1.337 . . . . 2.51 111.774 -174.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 79.0 m-70 -66.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.327 -0.62 . . . . 2.85 109.327 175.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 81' ' ' ALA . 41.1 mt -64.89 -59.75 3.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.878 -1.055 . . . . 1.1 111.285 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.13 -21.68 66.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 2.41 110.749 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -69.91 -35.76 72.79 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.89 -0.671 . . . . 0.48 112.166 176.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.9 mm -66.93 -38.41 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.955 0.883 . . . . 1.84 109.549 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.431 HG21 ' HB1' ' A' ' 85' ' ' ALA . 97.2 t -69.34 -41.37 80.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.882 -1.054 . . . . 1.22 111.802 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -80.08 -19.3 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.138 0.421 . . . . 1.95 112.138 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 pt -79.59 -31.81 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 119.978 -0.689 . . . . 2.55 110.137 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -69.11 -43.65 74.01 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 108.571 -0.899 . . . . 3.26 108.571 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -57.9 -32.65 67.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.74 -1.118 . . . . 2.85 110.055 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -69.07 -53.16 21.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.675 -0.693 . . . . 3.5 112.304 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -85.37 -44.18 13.02 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.038 -0.665 . . . . 6.62 111.689 -175.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m -65.25 -73.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.09 0.404 . . . . 3.15 112.09 -174.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.477 HG11 ' CD2' ' B' ' 24' ' ' HIS . 9.4 p -177.72 166.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 110.337 -0.246 . . . . 4.57 110.337 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -56.46 117.85 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 7.92 110.906 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 67.43 -68.98 0.14 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.346 -0.843 . . . . 9.06 111.8 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.87 160.47 10.72 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.997 -0.62 . . . . 5.77 112.061 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.477 ' CD2' HG11 ' B' ' 20' ' ' VAL . 3.3 m170 -102.82 -178.18 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.493 -0.188 . . . . 8.99 110.493 176.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -93.41 -63.94 1.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.99 0.424 . . . . 8.34 110.485 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -98.47 -20.43 17.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.06 -0.518 . . . . 5.62 110.951 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -78.46 76.16 4.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 4.38 110.508 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' B' ' 68' ' ' GLN . 77.9 mt -146.35 64.42 1.2 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.076 -0.712 . . . . 3.39 109.076 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.1 m -103.46 -172.69 2.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.845 0.683 . . . . 1.88 112.845 -170.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.546 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 24.8 ttmt -75.69 -24.81 56.31 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.992 -0.549 . . . . 1.93 111.555 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -58.38 14.88 Favored Glycine 0 N--CA 1.454 -0.117 0 C-N-CA 120.929 -0.653 . . . . 0.46 113.137 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.21 -38.41 91.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.991 0.424 . . . . 2.43 111.178 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.613 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 16.5 tp -55.09 -49.97 70.36 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.145 -0.934 . . . . 1.18 109.421 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.426 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 61.0 tttm -56.17 -46.9 79.16 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.65 -1.159 . . . . 2.4 111.365 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 1.3 mp0 -56.37 -59.95 4.22 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 110.215 -0.291 . . . . 2.62 110.215 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.15 -50.53 37.18 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 123.746 0.654 . . . . 1.11 110.827 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 94.8 mt -60.41 -49.76 76.28 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.042 -0.526 . . . . 1.18 112.344 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' B' ' 42' ' ' ALA . 46.4 p -70.43 -27.86 64.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.062 0.393 . . . . 1.64 112.062 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.3 ptmm? -97.72 -31.32 12.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.58 0.585 . . . . 2.17 112.58 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.477 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 64.2 mm-40 -101.07 -39.61 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 1.67 111.246 -172.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.52 20.51 18.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.801 -0.444 . . . . 2.07 109.801 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' B' ' 38' ' ' THR . . . -52.84 -30.36 33.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.096 -0.956 . . . . 1.25 112.766 -176.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.446 ' HB3' ' CD ' ' A' ' 5' ' ' GLU . 65.6 t30 -115.92 26.19 10.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.979 0.418 . . . . 2.69 111.371 -173.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -118.87 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.236 0.541 . . . . 1.19 110.358 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 44.4 mt -81.44 132.45 31.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.367 -0.833 . . . . 1.13 109.97 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 1.9 pptp? -54.81 124.28 16.03 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 120.79 0.328 . . . . 2.14 110.67 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 48.84 43.7 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.306 -0.861 . . . . 1.62 111.525 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -62.01 -9.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.939 0.876 . . . . 1.19 110.206 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.466 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.5 OUTLIER -79.3 -13.01 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.9 -1.045 . . . . 1.76 109.95 178.074 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.39 128.02 35.2 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.646 -0.706 . . . . 1.59 111.122 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 21.6 tptp -64.48 -24.9 67.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.804 -1.089 . . . . 1.5 110.629 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -32.86 63.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 1.32 109.503 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.512 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -73.41 -44.39 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.182 -0.917 . . . . 1.23 109.079 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 73.5 mt -64.38 -37.56 80.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.9 -1.046 . . . . 1.1 111.398 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.628 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.3 OUTLIER -63.12 -44.17 96.36 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.27 -0.641 . . . . 1.53 109.27 -178.459 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -53.86 -45.36 70.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.658 -1.156 . . . . 1.77 111.297 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 41.9 mt -68.85 -56.95 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.21 -0.45 . . . . 1.62 110.546 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 2.6 t80 -49.06 -47.26 45.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.343 -0.844 . . . . 2.59 111.113 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.79 -31.49 72.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.021 -0.536 . . . . 2.08 111.064 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.18 -22.34 78.89 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.865 -0.683 . . . . 0.56 112.304 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.2 OUTLIER -96.84 -44.45 7.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.715 -0.476 . . . . 1.14 109.715 179.184 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -79.48 79.02 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.609 0.719 . . . . 1.4 109.96 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.65 70.32 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 1.46 111.467 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -87.58 -18.34 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.171 0.51 . . . . 3.55 111.082 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 63.45 52.79 2.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 114.939 -1.028 . . . . 3.2 111.756 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -109.06 8.76 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.167 0.508 . . . . 2.14 110.243 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.552 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 23.1 tt0 64.99 42.76 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 2.01 109.845 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' B' ' 28' ' ' LEU . 23.1 mt-30 -138.36 116.77 11.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.224 -0.898 . . . . 2.47 110.095 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.6 t -106.73 107.94 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.901 -0.59 . . . . 2.42 110.182 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -70.9 168.1 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 2.02 110.4 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -58.21 -31.14 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.879 0.371 . . . . 2.98 110.967 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.485 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.1 tt0 -74.08 -36.37 64.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.461 0.648 . . . . 2.16 110.719 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.27 -29.14 57.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.501 0.667 . . . . 1.99 109.808 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.561 ' O ' HG23 ' B' ' 78' ' ' VAL . 45.3 t80 -70.51 -23.89 62.73 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.53 -0.759 . . . . 2.55 109.176 171.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.8 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.246 -0.888 . . . . 1.32 109.556 175.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.599 ' O ' ' HB1' ' B' ' 79' ' ' ALA . 1.5 p -69.54 -24.03 63.67 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.121 -0.49 . . . . 1.28 110.323 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.465 HD11 HD11 ' B' ' 33' ' ' LEU . 8.1 tt -65.74 -41.66 91.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.446 -0.576 . . . . 1.78 109.446 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.4 t -64.48 -28.16 44.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 115.625 -0.716 . . . . 1.15 109.36 176.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -60.77 -51.82 67.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.127 0.489 . . . . 1.11 110.043 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.489 HD12 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.81 -37.66 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.472 -0.785 . . . . 1.09 110.267 175.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.484 ' HB2' HD11 ' A' ' 8' ' ' LEU . . . -76.18 -34.58 59.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.692 -0.686 . . . . 1.0 112.265 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 97.4 mt -72.0 -34.53 68.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.433 0.635 . . . . 1.1 109.507 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -68.69 -30.55 69.24 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.151 -0.931 . . . . 2.26 109.953 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.48 94.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.119 0.485 . . . . 1.24 110.66 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.444 ' HB1' HG21 ' A' ' 12' ' ' VAL . . . -70.42 -55.47 8.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.748 -0.66 . . . . 1.1 112.196 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' B' ' 83' ' ' LYS . 18.7 p-80 -86.06 -40.2 15.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.995 0.426 . . . . 3.39 111.779 -174.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.537 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.2 t80 -89.49 22.7 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.511 0.724 . . . . 2.64 109.917 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -46.48 20.54 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.274 1.953 . . . . 4.09 116.274 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.537 ' H ' ' C ' ' B' ' 87' ' ' TYR . 9.0 t -87.4 -8.62 56.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 121.494 -0.754 . . . . 1.47 111.272 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.591 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 18.6 t60 -161.06 -24.49 0.06 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.608 0.225 . . . . 4.28 111.608 -177.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.91 10.45 31.1 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.386 -0.525 . . . . 3.47 109.956 174.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.409 ' CA ' ' HB3' ' B' ' 46' ' ' LYS . 1.8 tm-20 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.173 -0.918 . . . . 7.08 108.548 174.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.013 -0.366 . . . . 6.79 110.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.2 m -64.05 109.24 1.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.055 0.455 . . . . 4.76 110.677 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -96.45 -56.96 2.44 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.807 -0.812 . . . . 6.36 108.807 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.562 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -99.46 127.08 45.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.358 -0.979 . . . . 4.86 108.358 172.681 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.536 ' OE1' ' HB2' ' A' ' 7' ' ' HIS . 0.5 OUTLIER -64.81 124.09 21.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.297 0.57 . . . . 3.1 110.71 -171.256 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.65 -27.82 37.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.47 -0.786 . . . . 2.51 111.259 -172.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.536 ' HB2' ' OE1' ' A' ' 5' ' ' GLU . 47.7 m80 -80.02 -50.61 10.13 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.875 -0.417 . . . . 2.85 109.875 -175.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.508 ' CD1' ' HB2' ' B' ' 81' ' ' ALA . 75.0 mt -53.39 -60.82 2.81 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.483 0.659 . . . . 1.1 111.529 176.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -67.37 -22.43 65.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.065 -0.97 . . . . 2.41 110.417 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.584 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -72.03 -39.0 59.49 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.714 -0.676 . . . . 0.48 111.844 175.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 7' ' ' HIS . 80.4 mt -66.65 -44.8 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.726 -0.472 . . . . 1.84 109.726 177.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.446 HG21 ' HB3' ' B' ' 85' ' ' ALA . 39.4 t -50.05 -44.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.592 -0.731 . . . . 1.22 111.026 169.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -63.89 -42.56 97.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 1.95 111.071 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.1 mm -65.66 -36.44 77.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 121.008 0.432 . . . . 2.55 110.534 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -58.49 -32.13 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.944 -0.571 . . . . 3.26 110.317 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -85.62 -20.9 28.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 2.85 110.347 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 24.1 tp60 -79.6 -19.64 48.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 3.5 112.546 -171.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -49.07 -29.11 4.71 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.071 0.397 . . . . 6.61 112.071 -176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m 72.39 167.12 0.31 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.26 0.624 . . . . 3.15 111.494 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.5 t 60.03 62.57 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.646 0.736 . . . . 4.58 109.541 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -73.75 93.08 2.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.206 -0.906 . . . . 7.92 110.464 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -131.61 124.64 30.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.931 -0.577 . . . . 9.05 110.552 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.81 -170.48 36.58 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 111.235 -0.746 . . . . 5.75 111.235 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -91.39 -73.96 0.52 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.502 -0.555 . . . . 8.99 109.502 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -96.77 -61.99 1.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.646 -0.872 . . . . 8.34 108.646 173.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -134.14 -49.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.93 -0.767 . . . . 5.62 108.93 170.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.0 m 73.09 -82.12 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.159 -0.928 . . . . 4.37 112.043 172.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 50.45 85.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.268 0.556 . . . . 3.39 111.164 -175.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -97.9 -171.71 2.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.428 -0.351 . . . . 1.87 111.062 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' CD ' ' HE3' ' A' ' 51' ' ' LYS . 24.8 ttmt -65.55 -25.78 67.58 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.77 -0.372 . . . . 1.93 110.679 -176.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -52.43 50.89 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 120.981 -0.628 . . . . 0.47 112.643 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.68 -42.76 81.6 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.105 0.479 . . . . 2.44 111.139 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.531 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 21.0 tp -64.17 -46.04 85.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.483 -0.78 . . . . 1.18 109.956 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 15.4 tptp -52.76 -45.8 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 2.4 110.883 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.656 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 54.8 tt0 -59.02 -60.93 3.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.821 -0.627 . . . . 2.62 110.381 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.91 -45.05 71.05 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.347 0.405 . . . . 1.11 111.384 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.0 mt -66.8 -50.32 63.0 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 112.417 0.525 . . . . 1.18 112.417 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.1 t -64.78 -28.94 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.64 111.322 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.05 -41.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.676 0.621 . . . . 2.17 112.676 -178.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 15.6 mm-40 -91.66 -39.15 12.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 1.67 111.481 -168.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.13 21.31 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.033 0.444 . . . . 2.07 110.04 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.28 -47.05 55.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.811 -1.086 . . . . 1.25 113.226 -172.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -108.68 29.35 7.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.307 0.575 . . . . 2.69 110.68 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.7 m -118.23 -56.24 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 1.19 110.499 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.5 mt -90.33 136.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.854 -0.612 . . . . 1.14 110.137 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HB3' ' C ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -57.12 125.8 24.32 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.499 -0.319 . . . . 2.14 110.887 -179.615 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.447 ' C ' ' H ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 49.97 36.51 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 1.62 111.039 174.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.3 tp -63.35 -6.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 122.367 1.08 . . . . 1.19 109.985 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 47' ' ' ASN . 12.6 mmmm -85.4 -12.87 51.04 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.345 -1.298 . . . . 1.76 109.761 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -90.99 129.7 36.98 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.483 -0.78 . . . . 1.58 110.177 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.9 -21.2 66.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.002 -0.545 . . . . 1.51 110.562 176.672 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.87 -35.12 76.51 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.626 0.727 . . . . 1.33 109.129 175.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 25.1 t -81.08 -44.53 20.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.524 -1.216 . . . . 1.23 109.611 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.437 ' CD1' ' HD2' ' A' ' 34' ' ' LYS . 38.9 mt -59.35 -32.48 48.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.448 -0.797 . . . . 1.1 110.582 174.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.03 -46.66 73.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.377 -0.829 . . . . 1.53 109.529 175.202 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 36.3 mm-40 -52.73 -45.23 66.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.14 -0.936 . . . . 1.77 111.061 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.58 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.22 -60.12 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 1.62 110.803 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.432 ' N ' HG21 ' A' ' 57' ' ' ILE . 89.9 t80 -57.7 -44.75 86.08 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.569 -0.741 . . . . 2.59 110.994 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.03 -24.93 63.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 2.08 110.672 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.65 -25.16 76.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.584 -0.817 . . . . 0.56 111.828 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -97.12 -48.12 5.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.122 -0.696 . . . . 1.14 109.122 178.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 47.2 t0 -75.85 76.82 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.923 -1.035 . . . . 1.4 110.194 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.47 -19.18 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.423 -0.808 . . . . 1.46 110.597 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -81.57 -20.66 39.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.248 0.547 . . . . 3.54 110.295 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 62.44 33.81 15.93 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 114.927 -1.033 . . . . 3.2 111.439 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -102.37 2.04 36.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.32 0.581 . . . . 2.13 110.265 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 30.8 tt0 69.67 41.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 2.02 111.04 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -145.16 117.72 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.643 -0.708 . . . . 2.47 109.736 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.412 HG11 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -100.62 120.54 50.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.84 0.829 . . . . 2.42 111.392 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.3 174.1 8.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 2.02 110.587 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.13 -33.95 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 2.97 109.907 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 31.1 tt0 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.4 0.619 . . . . 2.16 110.836 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.526 ' OE1' ' HA ' ' A' ' 62' ' ' ASP . 38.5 mt-10 -71.98 -38.3 69.73 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.616 -0.72 . . . . 1.99 110.12 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 77.2 t80 -63.31 -30.94 71.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 2.55 109.974 171.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.507 HD13 ' HZ3' ' B' ' 83' ' ' LYS . 1.8 mt -63.7 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.537 -0.756 . . . . 1.31 109.12 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' HD12 ' A' ' 80' ' ' ILE . 49.9 m -66.31 -34.06 77.14 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.074 -0.966 . . . . 1.27 110.166 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.503 HD22 ' CG2' ' A' ' 57' ' ' ILE . 1.2 tm? -58.92 -45.42 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.426 -0.583 . . . . 1.78 109.426 175.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.507 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 15.9 t -65.83 -29.64 47.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.182 -0.463 . . . . 1.15 110.0 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.8 -51.1 70.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.054 -0.521 . . . . 1.1 109.975 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.561 HD12 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.11 -35.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.367 -0.833 . . . . 1.09 110.494 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' B' ' 8' ' ' LEU . . . -79.07 -34.52 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.755 -0.657 . . . . 1.0 112.377 -174.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.0 mt -70.33 -37.31 74.67 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.783 -0.821 . . . . 1.1 108.783 172.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.5 ' HZ3' HD13 ' B' ' 75' ' ' ILE . 0.1 OUTLIER -56.34 -37.83 70.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.301 -1.318 . . . . 2.26 109.639 170.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HA ' ' CB ' ' A' ' 91' ' ' LYS . . . -72.04 -31.46 66.19 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.208 -0.905 . . . . 1.24 112.578 -177.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.448 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.23 -55.92 4.07 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.764 -0.374 . . . . 1.1 111.679 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -86.63 -44.22 12.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.719 -0.392 . . . . 3.4 111.809 -174.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.518 ' O ' HG21 ' A' ' 89' ' ' THR . 1.8 t80 -90.92 22.13 3.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.908 -0.404 . . . . 2.64 109.908 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 3.4 p80 -46.35 20.66 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 117.492 2.404 . . . . 4.09 117.492 -173.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.518 HG21 ' O ' ' A' ' 87' ' ' TYR . 2.0 t -62.89 -45.53 92.08 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.21 0.914 . . . . 1.46 112.346 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -144.12 21.26 1.75 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.331 0.586 . . . . 4.28 111.22 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.621 ' CB ' ' HA ' ' A' ' 84' ' ' ALA . 12.8 mmtp -106.67 4.33 27.72 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.067 -1.086 . . . . 3.47 108.067 168.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 88' ' ' HIS . 31.7 tt0 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 114.885 -1.052 . . . . 7.09 109.45 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.037 -0.357 . . . . 6.8 110.037 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 32.3 m -64.02 109.57 1.85 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.087 -0.506 . . . . 4.76 110.501 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -96.78 -56.75 2.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.89 -0.781 . . . . 6.35 108.89 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.549 ' H ' HD23 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -99.84 126.79 46.0 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.466 -0.939 . . . . 4.87 108.466 172.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.529 ' OE1' ' HB2' ' B' ' 7' ' ' HIS . 0.5 OUTLIER -64.66 124.28 21.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.481 0.658 . . . . 3.1 110.739 -171.089 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.8 -27.55 36.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.279 -0.873 . . . . 2.51 111.274 -172.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.529 ' HB2' ' OE1' ' B' ' 5' ' ' GLU . 47.8 m80 -80.12 -50.63 10.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.86 -0.422 . . . . 2.85 109.86 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.519 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 76.4 mt -53.52 -60.85 2.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.414 0.626 . . . . 1.1 111.457 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -67.34 -22.6 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.054 -0.976 . . . . 2.41 110.304 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.581 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -71.85 -39.06 60.16 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.63 -0.714 . . . . 0.48 111.927 174.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.514 HG13 ' O ' ' B' ' 7' ' ' HIS . 80.2 mt -66.64 -44.83 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.81 -0.441 . . . . 1.84 109.81 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 85' ' ' ALA . 39.4 t -50.07 -44.73 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 1.22 110.938 169.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.94 -42.63 97.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.812 -0.631 . . . . 1.95 110.976 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.581 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.3 mm -65.47 -36.48 77.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.108 0.48 . . . . 2.55 110.642 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.77 -31.75 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.577 . . . . 3.26 110.314 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -85.74 -20.9 28.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.72 -0.673 . . . . 2.85 110.298 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' B' ' 14' ' ' ILE . 23.9 tp60 -79.93 -19.41 48.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 3.5 112.635 -171.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -49.03 -28.97 4.4 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.154 0.427 . . . . 6.62 112.154 -177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.3 m 72.15 166.96 0.31 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.293 0.637 . . . . 3.15 111.58 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 19.4 t 60.33 62.44 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.627 0.727 . . . . 4.57 109.414 -175.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -73.7 93.06 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.408 -0.815 . . . . 7.92 110.51 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -131.38 125.35 32.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.907 -0.588 . . . . 9.06 110.457 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.47 -170.29 36.82 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.196 -0.761 . . . . 5.77 111.196 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -91.81 -73.64 0.54 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.696 -0.483 . . . . 8.99 109.696 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -97.25 -61.61 1.37 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.557 -0.905 . . . . 8.34 108.557 173.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -134.29 -49.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.357 -0.838 . . . . 5.62 108.969 170.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.1 m 73.34 -81.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.037 -0.983 . . . . 4.38 112.036 172.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 50.29 85.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.289 0.566 . . . . 3.39 111.188 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -97.32 -171.68 2.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.382 -0.372 . . . . 1.88 111.146 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.49 ' CD ' ' HE3' ' B' ' 51' ' ' LYS . 25.0 ttmt -65.85 -25.52 67.24 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.71 -0.396 . . . . 1.93 110.728 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.08 -52.35 51.89 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.901 -0.666 . . . . 0.46 112.684 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.57 -42.87 81.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.163 -0.519 . . . . 2.43 111.146 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 21.1 tp -64.19 -45.82 86.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.436 -0.802 . . . . 1.18 109.948 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' B' ' 54' ' ' ILE . 15.3 tptp -53.01 -45.67 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.378 0.671 . . . . 2.4 110.767 176.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 54.5 tt0 -59.22 -60.94 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 2.62 110.25 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.86 -44.93 70.77 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 123.405 0.441 . . . . 1.11 111.389 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.9 mt -66.98 -50.25 62.87 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 112.415 0.524 . . . . 1.18 112.415 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 13.0 t -64.69 -29.12 70.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 1.64 111.257 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -96.96 -41.75 8.24 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.521 0.563 . . . . 2.17 112.521 -178.449 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.415 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 17.8 mm-40 -91.6 -39.12 12.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 1.67 111.441 -168.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -104.99 20.95 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.035 0.445 . . . . 2.07 110.092 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.23 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.843 -1.071 . . . . 1.25 113.17 -172.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.52 29.43 7.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.454 0.645 . . . . 2.69 110.677 -174.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.1 m -118.18 -56.74 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.023 0.44 . . . . 1.19 110.355 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.8 mt -89.78 136.51 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.935 -0.575 . . . . 1.13 110.103 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.454 ' HB3' ' C ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -57.2 125.95 25.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.488 -0.324 . . . . 2.14 110.924 -179.614 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.451 ' C ' ' H ' ' B' ' 49' ' ' LYS . 0.9 OUTLIER 49.82 36.51 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.552 -0.749 . . . . 1.62 111.038 174.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.2 tp -63.22 -6.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 122.348 1.07 . . . . 1.19 109.803 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' B' ' 47' ' ' ASN . 12.6 mmmm -85.53 -12.72 51.01 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.342 -1.299 . . . . 1.76 109.63 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.03 129.54 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 1.59 110.093 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -64.75 -21.21 66.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.051 -0.522 . . . . 1.5 110.566 176.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.61 -35.28 77.11 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.59 0.709 . . . . 1.32 109.243 175.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' B' ' 56' ' ' GLU . 25.1 t -81.09 -44.53 20.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.415 -1.266 . . . . 1.23 109.6 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 34' ' ' LYS . 38.9 mt -59.39 -32.2 48.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.408 -0.814 . . . . 1.1 110.625 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -67.33 -46.57 73.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.39 -0.823 . . . . 1.53 109.527 175.178 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 34.7 mm-40 -52.92 -45.43 67.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.181 -0.918 . . . . 1.77 110.916 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.91 -60.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.825 -0.625 . . . . 1.62 110.807 176.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.428 ' N ' HG21 ' B' ' 57' ' ' ILE . 90.1 t80 -57.67 -44.9 86.07 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.682 -0.69 . . . . 2.59 111.009 -172.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.98 -25.0 63.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.042 -0.527 . . . . 2.08 110.644 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.64 -25.34 75.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.772 -0.728 . . . . 0.56 111.841 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -96.87 -48.55 5.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.024 -0.732 . . . . 1.14 109.024 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.517 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 48.5 t0 -75.59 77.24 2.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.046 -0.979 . . . . 1.4 110.182 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -19.22 61.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.392 -0.822 . . . . 1.46 110.47 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -81.58 -20.51 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 3.55 110.271 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 62.35 33.77 16.17 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 114.9 -1.045 . . . . 3.2 111.379 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -102.4 2.08 36.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.302 0.572 . . . . 2.14 110.333 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.418 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 30.8 tt0 69.87 40.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.043 -0.981 . . . . 2.01 111.113 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -144.61 117.67 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.681 -0.691 . . . . 2.47 109.803 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.413 HG11 ' CE1' ' B' ' 58' ' ' PHE . 15.0 m -100.61 120.26 49.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.79 0.805 . . . . 2.42 111.412 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.1 174.13 8.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.11 -0.95 . . . . 2.02 110.536 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -58.16 -33.92 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.87 -0.419 . . . . 2.98 109.87 176.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.472 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 31.1 tt0 -66.84 -41.48 87.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.521 0.677 . . . . 2.16 110.824 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.517 ' OE1' ' HA ' ' B' ' 62' ' ' ASP . 39.0 mt-10 -72.02 -38.4 69.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.698 -0.683 . . . . 1.99 110.199 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 77.3 t80 -63.19 -30.99 72.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.302 0.572 . . . . 2.55 109.95 171.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.5 HD13 ' HZ3' ' A' ' 83' ' ' LYS . 1.8 mt -63.73 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.718 . . . . 1.32 109.22 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.569 ' O ' HD12 ' B' ' 80' ' ' ILE . 50.4 m -66.24 -33.86 76.72 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.118 -0.946 . . . . 1.28 110.221 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.508 HD22 ' CG2' ' B' ' 57' ' ' ILE . 1.2 tm? -59.2 -45.25 91.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.45 -0.574 . . . . 1.78 109.45 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 15.8 t -65.83 -29.74 47.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.208 -0.451 . . . . 1.15 109.955 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.57 -51.2 70.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.164 0.507 . . . . 1.11 110.036 173.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.569 HD12 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.14 -35.4 61.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.35 -0.841 . . . . 1.09 110.439 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.508 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . . . -79.09 -34.49 43.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.726 -0.67 . . . . 1.0 112.378 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 76.5 mt -70.47 -37.17 74.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.805 -0.813 . . . . 1.1 108.805 172.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.507 ' HZ3' HD13 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -56.36 -37.82 70.58 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.38 -1.282 . . . . 2.26 109.711 170.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.62 ' HA ' ' CB ' ' B' ' 91' ' ' LYS . . . -72.06 -31.76 66.44 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.173 -0.921 . . . . 1.24 112.495 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.446 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -82.99 -56.14 3.97 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.734 -0.387 . . . . 1.1 111.62 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.402 ' HB2' HG12 ' A' ' 12' ' ' VAL . 43.3 t-80 -86.31 -44.3 12.21 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.615 -0.434 . . . . 3.39 111.768 -174.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.516 ' O ' HG21 ' B' ' 89' ' ' THR . 1.8 t80 -90.94 22.32 3.71 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.944 -0.391 . . . . 2.64 109.944 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.481 ' HB2' ' CB ' ' B' ' 92' ' ' GLU . 3.4 p80 -46.46 20.76 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 117.488 2.403 . . . . 4.09 117.488 -173.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.516 HG21 ' O ' ' B' ' 87' ' ' TYR . 2.1 t -63.11 -45.61 91.19 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.17 0.896 . . . . 1.47 112.399 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -143.92 21.03 1.79 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.533 0.682 . . . . 4.28 111.221 175.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.62 ' CB ' ' HA ' ' B' ' 84' ' ' ALA . 12.8 mmtp -106.53 4.12 27.82 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.081 -1.081 . . . . 3.47 108.081 168.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.481 ' CB ' ' HB2' ' B' ' 88' ' ' HIS . 31.9 tt0 . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.059 -0.973 . . . . 7.08 109.488 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HA ' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.725 -0.472 . . . . 6.79 109.725 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -120.77 -83.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.979 -0.288 . . . . 4.76 111.401 -177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 74.5 mmtt -123.17 -77.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.703 -0.226 . . . . 6.36 110.391 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 44.4 tp 162.99 -83.38 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.347 1.03 . . . . 4.86 109.381 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.64 -15.8 14.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.063 -0.517 . . . . 3.1 112.184 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.479 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 14.5 tp10 -45.17 -40.15 6.87 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.321 0.489 . . . . 2.51 112.321 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.479 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.3 m170 -68.63 -63.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.177 -0.327 . . . . 2.85 110.89 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' B' ' 81' ' ' ALA . 57.3 mt -68.2 -59.74 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 1.1 111.494 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -71.12 -20.97 62.26 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.489 -0.778 . . . . 2.41 110.125 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -72.13 -33.75 61.95 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.795 -0.716 . . . . 0.48 112.132 174.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.4 mt -70.53 -34.13 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.867 0.841 . . . . 1.84 109.575 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' B' ' 85' ' ' ALA . 70.0 t -72.65 -26.65 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.282 -0.872 . . . . 1.22 109.894 174.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.385 -0.825 . . . . 1.95 110.774 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.8 pt -63.96 -32.98 59.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.182 0.515 . . . . 2.55 110.169 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -57.86 -37.66 74.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.035 -0.984 . . . . 3.26 110.281 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -85.52 -19.85 30.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 2.85 111.568 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -62.87 -52.85 61.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.732 0.271 . . . . 3.5 111.732 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.608 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 41.4 p90 -73.87 -38.4 64.43 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.66 -0.816 . . . . 6.61 111.168 -175.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.5 m -161.83 -161.16 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.082 -0.34 . . . . 3.15 110.082 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t 74.93 80.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 121.526 0.679 . . . . 4.58 110.943 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -121.6 121.36 37.25 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.634 -0.876 . . . . 7.92 108.634 173.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -55.44 115.74 2.47 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.653 0.596 . . . . 9.05 111.418 -173.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.83 -90.41 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.535 -0.757 . . . . 5.75 111.582 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -128.9 112.86 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.48 0.181 . . . . 8.99 110.525 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 69.94 165.24 0.27 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.931 0.769 . . . . 8.34 112.063 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.34 -158.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.39 -0.823 . . . . 5.62 109.93 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 80.83 144.95 0.08 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.059 0.944 . . . . 4.37 110.685 -176.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 28' ' ' LEU . 2.6 mm? -123.37 153.46 40.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.002 -0.544 . . . . 3.39 109.772 -175.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 m -102.85 -179.29 3.92 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.524 -0.47 . . . . 1.87 110.573 177.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.2 ttmp? -61.34 -35.51 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.672 0.249 . . . . 1.93 111.672 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.45 -41.18 93.17 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.333 -0.46 . . . . 0.47 112.839 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.608 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 24.1 mm-40 -68.53 -41.91 79.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.385 0.612 . . . . 2.44 110.454 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.4 tp -64.19 -49.61 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.012 -0.995 . . . . 1.18 109.513 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 51.7 tttm -54.89 -41.52 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.331 -0.849 . . . . 2.4 111.185 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -54.9 -61.76 2.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.183 -0.462 . . . . 2.62 110.252 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -53.96 -46.25 71.58 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.099 0.476 . . . . 1.11 110.945 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -60.31 -51.11 70.9 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.831 -0.622 . . . . 1.18 112.357 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.416 HG23 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -67.58 -27.06 66.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.186 -0.461 . . . . 1.64 112.01 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -37.06 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.944 0.72 . . . . 2.17 112.944 -177.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' OE2' ' HA ' ' B' ' 1' ' ' MET . 14.7 mm-40 -96.25 -47.07 6.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.104 0.478 . . . . 1.67 111.119 -172.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' B' ' 8' ' ' LEU . 13.9 mt -100.11 21.54 12.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.777 -0.647 . . . . 2.07 110.022 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.46 -30.82 42.71 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 114.996 -1.002 . . . . 1.25 112.78 -175.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -119.01 21.38 12.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.306 0.574 . . . . 2.69 110.722 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 HG23 ' CD1' ' B' ' 8' ' ' LEU . 20.9 m -111.44 -60.84 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.968 0.413 . . . . 1.19 110.242 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 64.4 mt -85.77 138.89 18.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.501 -0.772 . . . . 1.14 110.006 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -53.29 126.99 22.99 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.336 0.398 . . . . 2.14 110.606 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 49' ' ' LYS . 26.7 m-80 44.05 42.34 4.75 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.831 0.707 . . . . 1.62 111.647 174.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 8.9 tp -62.7 -5.9 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 122.097 0.951 . . . . 1.19 110.697 -178.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -86.0 -11.65 52.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.049 -0.978 . . . . 1.76 109.853 178.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 130.9 34.45 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.449 -0.796 . . . . 1.58 111.186 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.7 tptm -66.13 -27.07 67.75 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.987 -1.006 . . . . 1.51 110.231 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -72.22 -35.17 68.8 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.498 0.666 . . . . 1.33 109.357 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 57' ' ' ILE . 41.4 t -72.61 -43.82 61.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.843 -1.071 . . . . 1.23 109.296 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 51.7 mt -65.21 -35.32 75.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.766 -1.106 . . . . 1.1 110.979 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 17.6 t70 -61.36 -52.61 63.92 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.427 -0.953 . . . . 1.53 108.427 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 27.6 mm-40 -46.85 -47.93 21.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.749 -1.114 . . . . 1.77 111.617 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.487 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.9 mt -68.54 -59.85 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.301 -0.409 . . . . 1.62 111.197 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.49 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 75.7 t80 -55.03 -44.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.724 -0.671 . . . . 2.59 111.166 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -65.79 -28.16 68.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.773 -0.649 . . . . 2.08 110.38 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.86 -25.37 71.9 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.56 112.379 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.38 -39.86 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.446 -0.576 . . . . 1.14 109.446 178.658 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -76.46 67.01 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 1.4 110.001 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.2 60.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 1.46 110.734 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.76 -9.96 59.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 3.54 110.723 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 61.07 43.49 11.23 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.012 -0.994 . . . . 3.2 112.216 172.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.97 -3.9 28.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.292 -0.413 . . . . 2.13 110.601 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 3.9 tp10 65.64 30.79 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.194 -0.912 . . . . 2.02 108.647 -174.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.58 10.11 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.746 -1.116 . . . . 2.47 109.954 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG12 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -96.31 135.05 31.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.451 0.643 . . . . 2.42 110.814 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -96.24 -171.42 2.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 2.02 110.315 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.99 -40.29 97.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 2.97 110.927 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.464 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 46.1 tt0 -77.95 -32.06 51.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 2.16 111.11 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' SER . 3.7 mm-40 -69.05 -34.67 75.55 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.918 -0.771 . . . . 1.99 108.918 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 56.4 t80 -64.77 -29.34 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.398 -0.819 . . . . 2.55 109.872 172.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.525 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.0 OUTLIER -66.67 -37.86 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.585 -0.734 . . . . 1.31 109.289 174.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.558 ' O ' HD11 ' A' ' 80' ' ' ILE . 66.7 m -62.35 -37.31 85.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.474 -0.784 . . . . 1.27 109.942 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.567 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 7.4 tp -54.5 -46.98 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.118 0.485 . . . . 1.78 110.478 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.578 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.8 t -64.52 -30.7 50.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.455 -0.793 . . . . 1.15 109.965 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 76' ' ' SER . . . -60.76 -49.01 79.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.398 0.618 . . . . 1.1 109.937 174.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.558 HD11 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.75 -40.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.06 -0.973 . . . . 1.09 110.4 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' B' ' 8' ' ' LEU . . . -77.41 -33.41 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 1.0 112.326 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.8 mt -69.12 -34.04 74.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.907 -0.775 . . . . 1.1 108.907 173.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.541 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 7.9 mttt -73.67 -19.65 60.77 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.024 -0.989 . . . . 2.26 110.651 174.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 81' ' ' ALA . . . -72.04 -28.15 63.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.472 0.653 . . . . 1.24 109.528 172.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.445 ' HB2' HG22 ' B' ' 12' ' ' VAL . . . -82.84 -56.11 4.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.387 -0.824 . . . . 1.1 111.792 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 18.5 p80 -85.75 -44.6 12.37 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.48 -0.488 . . . . 3.4 112.129 -175.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.499 ' C ' ' H ' ' A' ' 89' ' ' THR . 6.5 t80 -90.15 21.83 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.952 0.501 . . . . 2.64 109.745 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -48.97 18.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.479 2.029 . . . . 4.09 116.479 -173.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.499 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.8 t -68.58 -41.93 78.97 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.692 0.678 . . . . 1.46 111.276 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -140.7 16.31 2.33 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.034 0.445 . . . . 4.28 111.35 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 57.9 mttp -118.3 17.52 13.86 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.894 -0.78 . . . . 3.47 108.894 171.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--O 1.248 0.974 0 CA-C-N 114.998 -1.001 . . . . 7.09 108.922 178.185 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.414 ' HA ' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.701 -0.481 . . . . 6.8 109.701 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -120.94 -83.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.609 0.243 . . . . 4.76 111.447 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' B' ' 4' ' ' LEU . 74.5 mmtt -123.36 -76.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.434 -0.21 . . . . 6.35 110.434 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' B' ' 3' ' ' LYS . 44.5 tp 162.89 -83.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.346 1.029 . . . . 4.87 109.278 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -15.59 14.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 3.1 112.228 -175.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.479 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 14.4 tp10 -45.32 -40.17 7.45 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.282 0.475 . . . . 2.51 112.282 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.475 ' O ' HG13 ' B' ' 11' ' ' ILE . 40.4 m170 -68.71 -63.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.968 -0.293 . . . . 2.85 110.851 -177.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.508 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 56.9 mt -68.36 -59.61 3.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.41 0.624 . . . . 1.1 111.487 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.12 -21.08 62.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.433 -0.803 . . . . 2.41 110.112 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -72.04 -33.72 62.25 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.48 112.199 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.3 mt -70.5 -34.1 56.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.883 0.849 . . . . 1.84 109.563 174.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 85' ' ' ALA . 70.9 t -72.88 -26.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.226 -0.897 . . . . 1.22 109.832 174.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 1.95 110.723 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 pt -63.78 -33.04 59.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.234 0.54 . . . . 2.55 110.199 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -57.92 -37.68 74.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.966 -1.015 . . . . 3.26 110.215 174.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -85.36 -19.83 30.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 2.85 111.587 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -62.85 -52.79 61.76 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.876 0.325 . . . . 3.5 111.876 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.606 ' CE1' ' HB3' ' B' ' 32' ' ' GLU . 41.7 p90 -74.01 -38.53 64.06 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.619 -0.833 . . . . 6.62 111.122 -175.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -161.64 -161.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 3.15 110.118 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t 74.86 80.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.547 0.689 . . . . 4.57 110.957 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -122.19 120.92 35.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.338 -0.846 . . . . 7.92 108.787 173.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -55.02 115.25 2.11 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.62 0.575 . . . . 9.06 111.673 -173.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.65 -91.07 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.359 -0.837 . . . . 5.77 111.589 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -127.98 112.5 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.822 -0.222 . . . . 8.99 110.657 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 70.14 164.98 0.27 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.541 0.686 . . . . 8.34 112.068 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.3 -157.95 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.427 -0.806 . . . . 5.62 110.017 -177.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 80.79 144.95 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.035 0.934 . . . . 4.38 110.728 -176.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.44 HD23 ' N ' ' B' ' 28' ' ' LEU . 2.6 mm? -123.46 153.32 40.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.591 . . . . 3.39 109.82 -175.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -102.76 -179.5 3.98 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.504 -0.478 . . . . 1.88 110.575 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.473 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.2 ttmp? -61.15 -35.63 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.723 0.268 . . . . 1.93 111.723 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.2 -41.09 92.62 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.259 -0.496 . . . . 0.46 113.018 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.606 ' HB3' ' CE1' ' B' ' 18' ' ' TYR . 26.5 mm-40 -68.76 -41.85 78.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.352 0.596 . . . . 2.43 110.38 -177.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.632 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 36.5 tp -64.05 -49.79 70.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.078 -0.964 . . . . 1.18 109.445 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 51.6 tttm -54.74 -41.38 70.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 2.4 111.231 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -55.02 -61.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.497 . . . . 2.62 110.261 175.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.409 HD23 ' C ' ' B' ' 36' ' ' LEU . 8.8 tt -53.91 -46.2 71.39 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.467 0.48 . . . . 1.11 110.879 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.2 mt -60.41 -51.1 70.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.881 -0.6 . . . . 1.18 112.276 -176.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.42 HG23 ' HA ' ' B' ' 49' ' ' LYS . 25.4 p -67.46 -27.12 66.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.197 -0.456 . . . . 1.64 112.049 -174.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 -36.7 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.922 0.712 . . . . 2.17 112.922 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.414 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 15.3 mm-40 -96.35 -47.17 6.11 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.124 0.488 . . . . 1.67 111.121 -172.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 8' ' ' LEU . 14.0 mt -100.13 21.45 12.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.781 -0.645 . . . . 2.07 109.979 -173.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.478 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.35 -31.04 42.62 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.032 -0.986 . . . . 1.25 112.8 -175.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -118.94 21.63 12.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.281 0.562 . . . . 2.69 110.625 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 8' ' ' LEU . 20.8 m -111.65 -60.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 1.19 110.338 -179.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 64.0 mt -85.48 138.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.508 -0.769 . . . . 1.13 110.081 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -53.05 126.76 21.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 123.292 0.37 . . . . 2.14 110.656 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' B' ' 49' ' ' LYS . 27.4 m-80 44.2 42.59 5.18 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.999 0.812 . . . . 1.62 111.687 174.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' B' ' 42' ' ' ALA . 8.9 tp -63.11 -5.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 122.129 0.966 . . . . 1.19 110.662 -177.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' B' ' 47' ' ' ASN . 0.4 OUTLIER -86.03 -11.52 52.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.876 -1.056 . . . . 1.76 109.752 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.76 130.76 34.47 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.509 -0.768 . . . . 1.59 111.134 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -66.11 -26.88 67.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.99 -1.004 . . . . 1.5 110.225 178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -72.63 -34.56 67.4 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.454 0.645 . . . . 1.32 109.413 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.453 ' O ' HG13 ' B' ' 57' ' ' ILE . 41.0 t -73.0 -43.86 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.895 -1.048 . . . . 1.23 109.211 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.443 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 51.5 mt -65.27 -35.4 75.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.624 -1.171 . . . . 1.1 110.924 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.13 -52.81 63.31 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.394 -0.965 . . . . 1.53 108.394 177.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 29.6 mm-40 -46.67 -47.98 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.645 -1.162 . . . . 1.77 111.615 175.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.476 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 65.5 mt -68.54 -59.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.232 -0.44 . . . . 1.62 111.139 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.473 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 76.4 t80 -55.21 -44.7 75.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.652 -0.704 . . . . 2.59 111.119 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -65.85 -28.15 68.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 2.08 110.426 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.85 -25.2 72.37 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.56 112.45 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.76 -39.57 10.68 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.403 -0.591 . . . . 1.14 109.403 178.573 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -76.66 66.86 2.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.687 0.756 . . . . 1.4 109.934 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.42 -23.52 61.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.73 . . . . 1.46 110.658 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -9.41 59.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.612 -0.722 . . . . 3.55 110.725 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 60.62 43.59 12.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.013 -0.994 . . . . 3.2 112.217 172.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.03 -4.0 28.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 2.14 110.646 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.409 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 3.9 tp10 65.91 30.49 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.606 -0.887 . . . . 2.01 108.606 -174.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.4 10.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.736 -1.12 . . . . 2.47 109.984 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' B' ' 58' ' ' PHE . 14.7 m -96.17 134.97 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.4 0.619 . . . . 2.42 110.889 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -95.98 -171.38 2.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.488 -0.778 . . . . 2.02 110.404 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.22 -40.12 96.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.139 0.495 . . . . 2.98 110.851 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.478 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 45.8 tt0 -78.0 -32.31 51.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.032 -0.531 . . . . 2.16 111.104 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.908 -0.775 . . . . 1.99 108.908 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.56 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 56.6 t80 -64.72 -29.33 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 2.55 109.88 172.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.541 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -66.62 -37.91 80.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 1.32 109.276 174.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.55 ' O ' HD11 ' B' ' 80' ' ' ILE . 68.9 m -62.39 -37.35 85.43 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.393 -0.822 . . . . 1.28 109.876 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.56 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 7.4 tp -54.57 -46.8 73.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.025 0.441 . . . . 1.78 110.407 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.575 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 11.0 t -64.62 -30.83 51.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 115.561 -0.745 . . . . 1.15 109.832 -177.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' B' ' 76' ' ' SER . . . -60.7 -49.04 79.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.419 0.628 . . . . 1.11 109.886 174.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.55 HD11 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.81 -40.03 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.11 -0.95 . . . . 1.09 110.357 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.497 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . . . -77.32 -33.59 55.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.889 -0.596 . . . . 1.0 112.286 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.08 -34.06 74.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.722 0.772 . . . . 1.1 108.928 173.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.525 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 7.7 mttt -73.54 -19.81 60.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.967 -1.015 . . . . 2.26 110.63 173.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' B' ' 81' ' ' ALA . . . -71.79 -28.55 63.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.516 0.674 . . . . 1.24 109.55 172.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.455 ' HB2' HG22 ' A' ' 12' ' ' VAL . . . -82.68 -56.1 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.405 -0.816 . . . . 1.1 111.683 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.452 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 17.9 p80 -85.68 -44.56 12.46 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.492 -0.483 . . . . 3.39 112.176 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.497 ' C ' ' H ' ' B' ' 89' ' ' THR . 6.4 t80 -90.11 21.6 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.91 0.484 . . . . 2.64 109.738 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -48.66 18.73 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.677 2.103 . . . . 4.09 116.677 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.497 ' H ' ' C ' ' B' ' 87' ' ' TYR . 3.6 t -68.25 -42.43 79.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 118.709 0.686 . . . . 1.47 111.15 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 96.9 m-70 -139.89 15.11 2.48 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.823 0.344 . . . . 4.28 111.427 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' B' ' 45' ' ' ILE . 58.1 mttp -117.71 17.73 14.29 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.956 -0.757 . . . . 3.47 108.956 171.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-N 114.996 -1.002 . . . . 7.08 109.0 178.24 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.636 0.255 . . . . 6.79 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.407 HG22 ' HA ' ' B' ' 40' ' ' GLU . 10.8 t -148.47 165.16 32.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.959 0.409 . . . . 4.76 110.013 178.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' HZ3' ' HB3' ' A' ' 3' ' ' LYS . 7.2 mtpm? -121.39 -55.31 1.95 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.992 -0.549 . . . . 6.36 110.02 -177.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.5 tp -165.29 -63.57 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.76 -0.654 . . . . 4.86 109.648 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -147.11 3.33 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.825 -0.625 . . . . 3.1 110.854 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.11 -35.97 49.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.406 0.682 . . . . 2.51 112.423 -173.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.495 ' O ' HG13 ' A' ' 11' ' ' ILE . 17.7 m170 -70.13 -62.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.0 -0.437 . . . . 2.85 110.855 -177.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' B' ' 81' ' ' ALA . 37.2 mt -66.59 -58.14 5.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.117 0.484 . . . . 1.1 111.586 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.37 -26.24 67.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.683 -0.689 . . . . 2.41 110.084 -175.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.25 -34.67 54.46 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.202 -0.523 . . . . 0.48 112.633 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 7' ' ' HIS . 83.7 mt -70.32 -37.1 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.853 0.835 . . . . 1.84 109.34 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG23 ' HB1' ' B' ' 85' ' ' ALA . 68.4 t -69.66 -26.64 31.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.288 -0.869 . . . . 1.22 110.116 174.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.42 -41.82 72.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.421 -0.808 . . . . 1.95 110.862 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 26.2 pt -69.85 -31.38 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.57 -0.452 . . . . 2.55 110.677 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.472 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 42.1 t80 -59.31 -48.47 81.51 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.083 -0.71 . . . . 3.26 109.083 170.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.526 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 59.4 t60 -62.81 -23.5 67.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.857 -1.065 . . . . 2.85 110.704 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 6.1 tp-100 -66.91 -57.7 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 3.5 111.039 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.472 ' CE2' ' HA ' ' A' ' 15' ' ' PHE . 28.7 p90 -76.79 -0.99 25.9 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.114 -0.634 . . . . 6.61 111.451 -178.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.7 m -85.88 52.17 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.917 0.389 . . . . 3.15 110.706 176.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t 69.35 -72.58 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.403 -0.817 . . . . 4.58 111.246 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.5 -52.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.059 -0.348 . . . . 7.92 110.059 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.526 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 62.4 tttp -148.57 -48.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.834 0.309 . . . . 9.05 111.834 -177.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.22 -51.32 59.17 Favored Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.034 -0.53 . . . . 5.75 114.266 -171.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 57.82 69.86 0.7 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.465 0.65 . . . . 8.99 109.382 -172.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -73.37 -41.94 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.713 -0.676 . . . . 8.34 109.95 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.12 148.07 48.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.274 -0.875 . . . . 5.62 108.854 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.428 ' CG2' ' HB3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -82.04 142.33 32.43 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.549 -0.908 . . . . 4.37 108.549 175.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -87.8 164.32 16.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.382 0.61 . . . . 3.39 112.171 -164.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 p -97.7 -172.05 2.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.906 -1.043 . . . . 1.87 111.526 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.561 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 16.4 ttmt -58.19 -36.75 73.55 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.027 0.38 . . . . 1.93 112.027 -173.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.07 -40.69 91.8 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.011 -0.614 . . . . 0.47 113.134 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.07 -36.72 64.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.123 0.487 . . . . 2.44 110.817 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 30.1 tp -67.51 -44.07 79.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 1.18 108.998 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.3 70.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.874 -1.057 . . . . 2.4 110.484 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.4 tt0 -55.76 -60.11 3.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.76 -0.655 . . . . 2.62 110.193 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 36' ' ' LEU . 7.7 tt -53.23 -46.42 69.11 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.061 0.458 . . . . 1.11 111.07 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 92.1 mt -65.5 -48.22 73.31 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.237 0.458 . . . . 1.18 112.237 -174.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 49' ' ' LYS . 35.9 p -68.14 -28.48 67.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.492 -0.322 . . . . 1.64 111.841 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.2 ptmt -97.08 -35.84 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.654 0.613 . . . . 2.17 112.654 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 5.5 mm-40 -98.07 -38.02 9.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.791 0.329 . . . . 1.67 111.733 -169.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.78 24.14 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.568 -0.53 . . . . 2.07 109.568 -177.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.8 -29.75 29.37 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.059 -0.973 . . . . 1.25 113.341 -173.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.0 31.93 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.144 0.497 . . . . 2.69 111.224 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -118.98 -66.45 1.07 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.332 0.587 . . . . 1.19 110.222 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.509 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 40.1 mt -76.94 132.74 32.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.237 -0.892 . . . . 1.14 109.95 -177.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' HB3' ' CA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -54.17 126.75 24.09 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.269 0.356 . . . . 2.14 110.732 -178.324 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 49' ' ' LYS . 4.2 m-20 46.56 42.38 11.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.409 -0.814 . . . . 1.62 111.671 176.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.509 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.0 tp -62.63 -7.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.044 0.926 . . . . 1.19 110.38 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.481 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.7 OUTLIER -84.51 -13.47 51.83 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.944 -1.025 . . . . 1.76 109.97 178.4 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.63 131.41 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.567 -0.742 . . . . 1.58 111.355 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.561 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -64.59 -29.18 70.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.667 -1.151 . . . . 1.51 110.632 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.1 -33.02 73.74 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.636 0.731 . . . . 1.33 109.36 177.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 57' ' ' ILE . 41.6 t -76.82 -47.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.639 -1.164 . . . . 1.23 109.521 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 58.5 mt -60.63 -43.29 94.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.106 -0.952 . . . . 1.1 111.896 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -60.96 -49.95 75.37 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.927 -0.579 . . . . 1.53 109.834 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.29 -46.22 24.81 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.41 -0.814 . . . . 1.77 111.331 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 53' ' ' VAL . 55.6 mt -72.43 -57.47 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.62 111.13 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.413 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 t80 -54.83 -44.84 74.26 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.795 -0.639 . . . . 2.59 111.06 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -63.47 -29.43 70.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.01 -0.541 . . . . 2.08 110.331 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.77 -31.57 76.15 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.796 -0.716 . . . . 0.56 112.623 174.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -89.55 -38.87 13.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.87 -0.418 . . . . 1.14 109.87 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.2 72.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.31 -0.859 . . . . 1.4 110.186 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.01 70.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.947 -1.024 . . . . 1.46 111.468 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -74.27 -16.17 60.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 3.54 110.939 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 64.25 28.15 13.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.21 -0.904 . . . . 3.2 111.61 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -98.69 4.93 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 2.13 109.853 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 62.69 50.51 3.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.981 -1.008 . . . . 2.02 109.53 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.428 ' HB3' ' CG2' ' A' ' 27' ' ' THR . 96.9 mt-30 -137.91 119.6 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.5 -0.773 . . . . 2.47 110.445 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.88 116.52 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.371 0.605 . . . . 2.42 111.097 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.06 171.63 12.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 2.02 110.572 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -54.73 -43.64 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.437 . . . . 2.97 110.734 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.516 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 30.4 tt0 -69.29 -35.58 76.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.635 0.731 . . . . 2.16 110.629 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -77.0 -29.67 55.56 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.447 -0.797 . . . . 1.99 109.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 78' ' ' VAL . 83.8 t80 -68.38 -29.5 68.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.219 -0.66 . . . . 2.55 109.219 169.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.516 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.5 mt -64.79 -36.95 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.84 . . . . 1.31 108.731 173.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.573 ' O ' HD11 ' A' ' 80' ' ' ILE . 32.2 m -66.71 -36.56 82.77 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.224 -0.898 . . . . 1.27 109.754 174.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.481 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.9 tm? -57.53 -45.14 85.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.705 -0.48 . . . . 1.78 109.705 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 74' ' ' PHE . 11.3 t -66.56 -30.26 49.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-N 116.182 -0.463 . . . . 1.15 109.868 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 76' ' ' SER . . . -61.39 -49.21 77.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.333 0.587 . . . . 1.1 110.114 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.573 HD11 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.08 -36.41 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.387 -0.824 . . . . 1.09 110.271 176.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' B' ' 8' ' ' LEU . . . -77.31 -35.83 54.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.991 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -69.49 -31.98 70.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.849 0.833 . . . . 1.1 109.03 173.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HG2' ' NE2' ' A' ' 86' ' ' HIS . 8.7 mttt -75.25 -20.33 59.26 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.038 -0.983 . . . . 2.26 110.563 173.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HA ' ' CB ' ' A' ' 91' ' ' LYS . . . -69.57 -31.76 70.12 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.502 0.668 . . . . 1.24 109.533 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.464 ' HB1' HG23 ' B' ' 12' ' ' VAL . . . -80.01 -57.15 3.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.511 -0.768 . . . . 1.1 111.554 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.581 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 3.2 p80 -82.33 -44.18 16.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.438 -0.505 . . . . 3.4 111.673 -175.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.549 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.0 t80 -88.94 22.6 2.65 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 123.098 0.559 . . . . 2.64 109.812 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.524 ' HB2' ' HB3' ' A' ' 92' ' ' GLU . 8.7 p-80 -48.54 18.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.798 1.777 . . . . 4.09 115.798 -176.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.549 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.0 t -74.64 -38.95 62.36 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.524 -0.735 . . . . 1.46 110.778 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -141.37 9.04 2.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.94 0.4 . . . . 4.28 111.556 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 68.3 mttm -113.17 11.44 18.81 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.112 -0.699 . . . . 3.47 109.112 171.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.246 0.872 0 N-CA-C 108.1 -1.074 . . . . 7.09 108.1 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.783 0.325 . . . . 6.8 110.615 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.9 t -148.64 164.98 32.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.954 0.407 . . . . 4.76 110.011 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.421 ' HZ3' ' HB3' ' B' ' 3' ' ' LYS . 7.2 mtpm? -121.29 -55.16 1.96 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.99 -0.55 . . . . 6.35 110.018 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 31.6 tp -165.45 -63.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.725 -0.671 . . . . 4.87 109.584 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -147.2 3.88 0.8 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.804 -0.635 . . . . 3.1 110.792 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.66 -35.93 55.98 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.752 -0.658 . . . . 2.51 112.436 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.491 ' O ' HG13 ' B' ' 11' ' ' ILE . 17.7 m170 -70.16 -61.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.114 -0.366 . . . . 2.85 110.876 -177.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 81' ' ' ALA . 36.9 mt -66.73 -57.96 6.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.064 0.459 . . . . 1.1 111.57 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.42 -26.19 67.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.799 -0.637 . . . . 2.41 110.1 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -34.76 53.86 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.16 -0.543 . . . . 0.48 112.654 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.5 mt -70.12 -37.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.842 0.829 . . . . 1.84 109.352 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.464 HG23 ' HB1' ' A' ' 85' ' ' ALA . 69.4 t -69.82 -26.4 30.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.269 -0.878 . . . . 1.22 110.12 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -70.67 -41.53 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.485 -0.78 . . . . 1.95 110.867 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 26.3 pt -70.07 -31.4 47.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 120.564 -0.454 . . . . 2.55 110.664 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.477 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 42.4 t80 -59.21 -48.5 81.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.147 -0.686 . . . . 3.26 109.147 170.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' B' ' 22' ' ' LYS . 58.9 t60 -62.82 -23.04 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.864 -1.062 . . . . 2.85 110.744 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 6.1 tp-100 -67.35 -57.52 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 3.5 111.062 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' B' ' 15' ' ' PHE . 28.4 p90 -77.02 -0.85 26.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.182 -0.607 . . . . 6.62 111.554 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -86.02 52.1 2.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 3.15 110.726 176.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t 69.32 -72.74 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.382 -0.826 . . . . 4.57 111.17 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -165.45 -52.91 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.125 -0.324 . . . . 7.92 110.125 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.515 ' HA ' ' CE1' ' B' ' 16' ' ' HIS . 62.4 tttp -148.53 -48.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.87 0.322 . . . . 9.06 111.87 -177.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.65 -50.61 65.43 Favored Glycine 0 N--CA 1.453 -0.213 0 CA-C-N 116.014 -0.539 . . . . 5.77 114.39 -171.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 57.39 69.94 0.7 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.346 0.593 . . . . 8.99 109.435 -172.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -73.52 -41.77 62.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.624 . . . . 8.34 110.046 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.1 147.71 48.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.227 -0.897 . . . . 5.62 108.957 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' B' ' 68' ' ' GLN . 0.6 OUTLIER -81.82 141.92 33.03 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.647 -0.871 . . . . 4.38 108.647 175.412 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.456 HD22 ' N ' ' B' ' 28' ' ' LEU . 2.7 mm? -87.63 164.25 16.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.423 0.63 . . . . 3.39 112.168 -164.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -97.34 -172.04 2.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.006 -0.997 . . . . 1.88 111.603 -176.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 16.3 ttmt -58.23 -36.51 73.28 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.102 0.408 . . . . 1.93 112.102 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.42 -40.44 92.14 Favored Glycine 0 C--N 1.329 0.154 0 C-N-CA 120.869 -0.681 . . . . 0.46 113.139 -177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.99 -36.62 64.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.085 0.469 . . . . 2.43 110.913 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 30.2 tp -67.44 -44.19 79.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.909 -0.775 . . . . 1.18 108.909 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.478 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.27 70.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.812 -1.086 . . . . 2.4 110.509 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 33.1 tt0 -55.54 -60.11 3.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.758 -0.655 . . . . 2.62 110.203 175.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.415 HD23 ' C ' ' B' ' 36' ' ' LEU . 7.7 tt -53.35 -46.59 69.58 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.115 0.483 . . . . 1.11 110.923 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 92.7 mt -65.35 -48.23 73.72 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 112.34 0.496 . . . . 1.18 112.34 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.47 HG23 ' HA ' ' B' ' 49' ' ' LYS . 35.7 p -68.09 -28.47 67.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.475 -0.33 . . . . 1.64 111.796 -175.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 17.3 ptmt -97.11 -35.71 10.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.705 0.631 . . . . 2.17 112.705 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.438 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 5.6 mm-40 -98.08 -38.31 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.674 0.273 . . . . 1.67 111.623 -169.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.7 24.25 13.3 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.571 -0.529 . . . . 2.07 109.571 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.63 -30.25 30.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.081 -0.963 . . . . 1.25 113.373 -173.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -121.65 31.94 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.208 0.528 . . . . 2.69 111.153 -173.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.4 m -119.14 -66.32 1.08 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.297 0.57 . . . . 1.19 110.125 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 40.8 mt -76.9 133.05 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.296 -0.865 . . . . 1.13 109.881 -177.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.438 ' HB3' ' CA ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -54.35 126.37 22.97 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.168 0.292 . . . . 2.14 110.725 -178.435 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' B' ' 49' ' ' LYS . 4.1 m-20 46.7 42.36 11.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.995 0.809 . . . . 1.62 111.615 176.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -62.53 -6.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.979 0.895 . . . . 1.19 110.421 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.5 -13.77 50.98 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.965 -1.016 . . . . 1.76 109.962 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.33 130.94 35.0 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.568 -0.742 . . . . 1.59 111.401 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.568 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -64.42 -28.96 70.04 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.724 -1.125 . . . . 1.5 110.72 178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.42 74.62 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.47 0.652 . . . . 1.32 109.341 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.537 ' O ' HG13 ' B' ' 57' ' ' ILE . 41.5 t -76.57 -47.88 28.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.536 -1.211 . . . . 1.23 109.504 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 58.5 mt -60.72 -43.43 95.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 1.1 111.86 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' B' ' 30' ' ' LYS . 16.1 t70 -60.9 -49.79 76.05 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 116.058 -0.519 . . . . 1.53 109.726 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -47.3 -46.5 25.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.355 -0.838 . . . . 1.77 111.287 175.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 53' ' ' VAL . 55.3 mt -72.4 -57.22 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.291 -0.413 . . . . 1.62 111.155 -177.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.95 -44.69 74.56 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.843 -0.617 . . . . 2.59 111.129 -177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -63.59 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.025 -0.534 . . . . 2.08 110.364 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.86 -31.11 74.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.856 -0.688 . . . . 0.56 112.503 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' B' ' 77' ' ' LEU . 0.1 OUTLIER -90.02 -38.8 13.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.083 0.441 . . . . 1.14 109.811 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.4 73.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.922 0.867 . . . . 1.4 110.143 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.02 -31.86 69.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 1.46 111.539 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -74.01 -17.0 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.141 -0.482 . . . . 3.55 110.884 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 64.83 27.97 12.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.304 -0.862 . . . . 3.2 111.542 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -98.74 4.96 47.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 2.14 109.784 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 62.74 50.48 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.944 -1.025 . . . . 2.01 109.596 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . 0.436 ' HB3' ' CG2' ' B' ' 27' ' ' THR . 97.0 mt-30 -138.08 119.25 14.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 2.47 110.421 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.43 116.47 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 2.42 111.194 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.06 171.68 12.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 2.02 110.648 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -54.75 -43.69 72.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.988 0.423 . . . . 2.98 110.715 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.509 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 30.8 tt0 -69.15 -35.73 76.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.784 0.802 . . . . 2.16 110.583 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.93 -29.71 55.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.325 -0.852 . . . . 1.99 109.879 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.56 ' O ' HG23 ' B' ' 78' ' ' VAL . 83.9 t80 -68.33 -29.66 68.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.18 -0.674 . . . . 2.55 109.18 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.509 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.5 mt -64.59 -37.2 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.679 -0.86 . . . . 1.32 108.679 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.577 ' O ' HD11 ' B' ' 80' ' ' ILE . 35.1 m -66.66 -36.33 82.28 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.191 -0.913 . . . . 1.28 109.848 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.9 tm? -57.65 -45.13 85.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.708 -0.479 . . . . 1.78 109.708 175.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 74' ' ' PHE . 11.5 t -66.65 -30.13 48.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 N-CA-C 109.774 -0.454 . . . . 1.15 109.774 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' B' ' 76' ' ' SER . . . -61.48 -49.08 78.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 1.11 110.073 175.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.577 HD11 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.16 -36.51 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.382 -0.827 . . . . 1.09 110.295 176.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.493 ' HB2' HD12 ' A' ' 8' ' ' LEU . . . -77.18 -35.92 55.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.986 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.42 -32.04 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.803 0.811 . . . . 1.1 109.015 173.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.577 ' HG2' ' NE2' ' B' ' 86' ' ' HIS . 8.8 mttt -75.37 -20.18 59.12 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.059 -0.973 . . . . 2.26 110.631 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.442 ' HA ' ' CB ' ' B' ' 91' ' ' LYS . . . -69.56 -31.85 70.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.262 0.553 . . . . 1.24 109.603 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.462 ' HB1' HG23 ' A' ' 12' ' ' VAL . . . -79.9 -57.12 3.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.587 -0.733 . . . . 1.1 111.501 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.577 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 2.9 p80 -82.22 -44.09 16.8 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.943 -0.473 . . . . 3.39 111.771 -175.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . 0.542 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.5 t80 -89.21 22.56 2.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 123.208 0.603 . . . . 2.64 109.884 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.521 ' HB2' ' HB3' ' B' ' 92' ' ' GLU . 8.7 p-80 -48.47 18.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.792 1.775 . . . . 4.09 115.792 -177.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.542 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.0 t -75.01 -38.37 61.56 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.39 -0.819 . . . . 1.47 110.913 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -142.0 9.5 1.92 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 4.28 111.52 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' B' ' 83' ' ' LYS . 68.3 mttm -113.53 11.74 18.42 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.087 -0.709 . . . . 3.47 109.087 171.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.521 ' HB3' ' HB2' ' B' ' 88' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.861 0 CA-C-N 114.926 -1.033 . . . . 7.08 108.352 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.022 0.439 . . . . 3.1 111.131 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.443 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 22.8 tt0 -65.13 -19.23 65.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.51 110.471 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.8 -26.0 34.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.302 -0.408 . . . . 2.16 111.111 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.769 HD13 ' HB1' ' B' ' 81' ' ' ALA . 77.4 mt -82.61 -61.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.924 -0.31 . . . . 0.34 110.643 178.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.497 ' HG2' ' HB1' ' B' ' 85' ' ' ALA . 27.5 mt-10 -67.87 -21.62 65.15 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.433 -0.507 . . . . 2.41 109.834 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.524 ' HA2' ' ND2' ' A' ' 13' ' ' ASN . . . -63.37 -53.86 36.28 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.517 -0.765 . . . . 0.44 112.172 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.14 -36.78 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.089 0.471 . . . . 1.16 110.271 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.485 HG21 ' HB3' ' B' ' 85' ' ' ALA . 55.3 t -61.4 -50.0 82.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.608 -0.723 . . . . 0.57 112.004 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.524 ' ND2' ' HA2' ' A' ' 10' ' ' GLY . 7.7 p30 -73.26 -23.6 60.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.177 -0.609 . . . . 1.42 110.418 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.3 mt -63.74 -47.32 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 2.06 110.164 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' HD2' ' CD2' ' A' ' 71' ' ' PHE . 28.8 t80 -62.27 -39.68 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.079 0.466 . . . . 2.57 110.0 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -64.55 -26.26 68.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 2.23 111.104 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 2.77 111.948 -176.536 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 59.0 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.78 0.8 . . . . 2.91 110.628 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 m -80.42 -171.72 3.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.156 -0.929 . . . . 1.35 112.087 -174.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.2 -23.27 66.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 1.32 111.773 -173.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.96 80.7 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.854 -0.689 . . . . 0.4 112.653 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.12 -39.73 75.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 2.44 110.712 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.7 tp -64.0 -50.15 69.65 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.69 -0.687 . . . . 0.52 110.199 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 54' ' ' ILE . 25.8 tptt -51.3 -43.88 61.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 1.87 110.706 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -59.9 -58.56 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 2.46 110.544 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.0 tt -54.26 -45.85 72.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 120.991 0.424 . . . . 0.45 110.732 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.8 mt -63.0 -50.65 69.89 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.613 0.597 . . . . 0.45 112.613 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 11.2 t -67.74 -27.67 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.18 -0.208 . . . . 1.23 111.527 -174.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -97.37 -30.5 12.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.199 0.815 . . . . 1.61 113.199 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 26.6 mm-40 -97.17 -49.49 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.427 0.632 . . . . 1.67 110.864 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' B' ' 8' ' ' LEU . 7.8 mp -95.74 18.59 12.74 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.759 -0.655 . . . . 1.42 111.29 -172.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.84 -25.79 21.26 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.323 0.861 . . . . 0.78 113.323 -175.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -109.26 -2.86 17.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 2.16 111.694 -174.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.7 -62.21 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.567 . . . . 0.66 111.053 -170.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 45.4 mt -82.08 138.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.501 -0.772 . . . . 0.6 110.196 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.83 123.05 14.42 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.185 -0.461 . . . . 1.61 109.947 -178.007 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.495 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.7 m120 46.62 43.73 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 1.48 111.74 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.8 tp -62.43 -4.58 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.927 0.87 . . . . 0.55 110.782 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -80.93 -24.07 38.43 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.402 -0.817 . . . . 1.11 109.581 179.039 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.59 126.99 31.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.715 -1.129 . . . . 1.58 111.087 -176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.38 -25.63 68.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.052 -0.976 . . . . 0.92 110.06 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.37 -36.65 74.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.67 109.463 176.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.8 t -72.74 -45.59 56.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.013 -0.994 . . . . 0.6 109.212 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 34' ' ' LYS . 42.6 mt -65.02 -35.0 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.569 -1.196 . . . . 0.42 111.386 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.9 t70 -62.7 -52.65 62.46 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.814 -0.81 . . . . 1.53 108.814 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 33.2 mm-40 -48.43 -46.45 37.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.524 -1.217 . . . . 1.77 111.616 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.522 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 73.5 mt -71.55 -51.65 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.29 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 69' ' ' VAL . 78.6 t80 -53.45 -46.97 70.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.916 -0.584 . . . . 1.68 110.325 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 13.7 mm100 -65.89 -27.35 68.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.297 -0.865 . . . . 1.92 110.371 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.79 -26.91 71.77 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.774 -0.648 . . . . 0.53 112.2 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -91.18 -41.54 10.94 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.885 -0.783 . . . . 0.58 108.885 178.331 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -81.2 70.69 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.945 -1.025 . . . . 1.4 110.222 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.19 -16.3 63.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.331 -0.849 . . . . 1.3 109.341 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.74 -20.31 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.705 -1.134 . . . . 2.8 110.201 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 58.64 39.07 24.98 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.162 -0.926 . . . . 2.72 110.393 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -123.35 4.22 9.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 2.13 110.816 -174.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.44 47.69 2.23 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.177 -0.92 . . . . 2.02 110.794 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.36 118.16 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 2.16 111.131 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.487 HG23 ' CE1' ' A' ' 58' ' ' PHE . 34.6 t -107.3 107.43 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.489 0.661 . . . . 1.81 110.473 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.23 174.85 11.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.255 -0.884 . . . . 2.02 109.161 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.425 ' CD2' ' HD2' ' A' ' 15' ' ' PHE . 51.1 m-85 -57.28 -31.09 65.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.392 . . . . 2.17 109.943 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 75' ' ' ILE . 63.8 tt0 -72.93 -39.78 65.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.061 0.458 . . . . 1.66 111.311 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -70.87 -30.86 67.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.67 0.748 . . . . 1.99 109.356 176.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 78' ' ' VAL . 74.7 t80 -72.53 -20.63 61.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 1.92 109.581 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 72' ' ' GLN . 0.5 OUTLIER -66.93 -42.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.525 -0.762 . . . . 0.67 109.114 176.629 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.6 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.4 p -68.79 -27.51 65.95 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.914 -0.584 . . . . 0.74 110.424 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.7 tm? -61.13 -45.64 93.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.619 -0.511 . . . . 1.15 109.619 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 74' ' ' PHE . 15.9 t -66.44 -26.12 36.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 116.154 -0.475 . . . . 0.33 109.756 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -63.8 -44.9 91.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.243 0.544 . . . . 0.43 110.04 173.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -63.94 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.446 -0.797 . . . . 0.4 110.268 175.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.41 -42.74 43.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.249 -0.887 . . . . 0.28 112.804 -172.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' HG ' HG12 ' A' ' 78' ' ' VAL . 96.3 mt -64.39 -34.4 78.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 0.33 109.531 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 3.2 tmtp? -64.58 -44.66 89.96 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.257 -0.883 . . . . 1.67 109.288 174.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.478 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -63.91 -20.57 65.95 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.878 -0.601 . . . . 0.48 111.292 175.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB1' ' HG2' ' B' ' 9' ' ' GLU . . . -80.03 -55.56 4.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.707 0.262 . . . . 0.57 111.707 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -80.21 -46.38 16.39 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.637 0.732 . . . . 2.68 110.763 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.518 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.7 t80 -88.11 25.97 1.48 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.778 -1.101 . . . . 1.8 109.24 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 38.0 t-80 -45.31 6.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.924 1.69 . . . . 3.26 114.795 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.9 t -66.38 -44.97 81.65 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.071 -0.714 . . . . 1.26 109.071 172.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 . . . . . 0 C--N 1.34 0.194 0 C-N-CA 125.083 1.353 . . . . 3.47 108.93 177.059 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.974 0.416 . . . . 3.1 111.103 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.446 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 23.7 tt0 -65.25 -19.28 65.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.702 -0.681 . . . . 2.51 110.43 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -81.79 -25.9 34.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 2.16 111.127 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.767 HD13 ' HB1' ' A' ' 81' ' ' ALA . 77.3 mt -82.74 -61.32 1.91 Allowed 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.915 -0.314 . . . . 0.34 110.497 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.488 ' HG2' ' HB1' ' A' ' 85' ' ' ALA . 28.6 mt-10 -67.81 -21.8 65.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.492 -0.483 . . . . 2.41 109.942 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.512 ' HA2' ' ND2' ' B' ' 13' ' ' ASN . . . -63.14 -54.21 34.46 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.538 -0.755 . . . . 0.44 112.227 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.77 -37.0 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.156 0.503 . . . . 1.16 110.278 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 85' ' ' ALA . 54.9 t -61.43 -49.61 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 0.57 112.141 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.512 ' ND2' ' HA2' ' B' ' 10' ' ' GLY . 7.8 p30 -73.71 -23.34 59.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.185 -0.606 . . . . 1.42 110.263 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.8 mt -63.71 -47.4 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 2.06 110.212 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.421 ' HD2' ' CD2' ' B' ' 71' ' ' PHE . 29.1 t80 -62.38 -39.81 94.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 2.58 109.931 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -64.51 -26.08 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.822 -0.626 . . . . 2.23 111.143 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 2.77 112.001 -176.565 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 69' ' ' VAL . 58.2 mt . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.754 0.788 . . . . 2.91 110.61 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.5 m -80.56 -171.7 3.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.228 -0.896 . . . . 1.35 112.076 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -62.21 -22.9 66.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 1.32 111.796 -173.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.67 -48.83 82.72 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.827 -0.702 . . . . 0.4 112.707 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -70.33 -39.43 74.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.46 . . . . 2.43 110.744 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -64.25 -50.21 68.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.663 -0.699 . . . . 0.52 110.056 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' B' ' 54' ' ' ILE . 25.8 tptt -51.2 -43.78 61.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 1.87 110.83 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -59.91 -58.47 8.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.962 -0.563 . . . . 2.45 110.625 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 9.0 tt -54.38 -45.77 72.9 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.983 0.42 . . . . 0.45 110.67 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.8 mt -63.12 -50.64 69.67 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.605 0.595 . . . . 0.45 112.605 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 10.8 t -67.55 -28.07 67.48 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.16 -0.216 . . . . 1.23 111.512 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -97.18 -30.45 13.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.152 0.797 . . . . 1.62 113.152 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 26.5 mm-40 -97.02 -49.67 4.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.438 0.637 . . . . 1.67 110.927 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 8' ' ' LEU . 7.9 mp -95.86 18.63 12.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.748 -0.66 . . . . 1.42 111.202 -172.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.89 -25.69 21.28 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.353 0.871 . . . . 0.78 113.353 -175.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -109.51 -2.2 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.684 0.278 . . . . 2.16 111.682 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.9 -62.64 1.25 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.336 0.588 . . . . 0.66 110.946 -170.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 45.0 mt -81.79 138.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.516 -0.765 . . . . 0.6 110.169 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.5 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -58.37 123.3 15.67 Favored 'General case' 0 CA--C 1.521 -0.164 0 O-C-N 123.44 0.463 . . . . 1.61 109.915 -177.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.5 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 14.1 m120 46.64 43.75 12.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 123.838 0.711 . . . . 1.48 111.797 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.8 tp -62.69 -4.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.97 0.891 . . . . 0.56 110.785 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -24.35 38.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.304 -0.862 . . . . 1.11 109.486 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.37 127.05 31.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 114.763 -1.108 . . . . 1.59 111.091 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -63.45 -25.46 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 0.92 110.123 176.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.43 -36.54 74.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.412 -0.588 . . . . 0.67 109.412 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.446 ' O ' HG13 ' B' ' 57' ' ' ILE . 22.3 t -72.88 -45.35 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 114.935 -1.029 . . . . 0.6 109.168 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 34' ' ' LYS . 42.7 mt -65.17 -35.14 74.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.621 -1.172 . . . . 0.42 111.394 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 15.3 t70 -62.8 -52.59 62.59 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.747 -0.835 . . . . 1.53 108.747 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -48.42 -46.18 37.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.553 -1.203 . . . . 1.77 111.746 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 74.2 mt -71.83 -51.75 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.203 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.503 ' CE1' HG23 ' B' ' 69' ' ' VAL . 78.9 t80 -53.34 -47.04 69.69 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.902 -0.59 . . . . 1.67 110.356 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 13.3 mm100 -65.63 -27.6 68.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.237 -0.892 . . . . 1.91 110.506 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.16 -27.76 71.34 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.766 -0.652 . . . . 0.53 112.295 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.526 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.4 OUTLIER -90.74 -41.5 11.23 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.825 -0.806 . . . . 0.59 108.825 178.683 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.22 70.82 8.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.982 -1.008 . . . . 1.4 110.37 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.3 -15.8 62.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.22 -0.9 . . . . 1.31 109.509 175.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -73.05 -20.29 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.115 . . . . 2.8 110.287 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 58.2 39.99 25.3 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.036 -0.983 . . . . 2.72 110.242 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.28 4.42 8.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 2.14 110.791 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 65.41 47.77 2.23 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.297 -0.865 . . . . 2.01 110.692 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -140.77 118.14 11.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 2.16 111.162 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.503 HG23 ' CE1' ' B' ' 58' ' ' PHE . 34.8 t -107.18 107.32 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.536 0.684 . . . . 1.81 110.581 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -79.13 174.82 11.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.336 -0.847 . . . . 2.02 109.06 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.421 ' CD2' ' HD2' ' B' ' 15' ' ' PHE . 50.7 m-85 -57.17 -31.01 64.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.874 0.369 . . . . 2.18 110.083 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' B' ' 75' ' ' ILE . 63.9 tt0 -73.07 -39.76 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 1.67 111.281 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.3 mm-40 -70.82 -30.9 67.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.608 0.718 . . . . 1.99 109.325 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.588 ' O ' HG23 ' B' ' 78' ' ' VAL . 74.8 t80 -72.51 -20.47 61.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.668 -0.696 . . . . 1.92 109.64 173.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' B' ' 72' ' ' GLN . 0.5 OUTLIER -67.0 -41.99 88.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.484 -0.78 . . . . 0.67 109.074 176.673 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.59 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.4 p -68.81 -27.46 65.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.94 -0.573 . . . . 0.74 110.483 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.528 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.6 tm? -61.22 -45.67 93.6 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.578 -0.527 . . . . 1.14 109.578 174.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.2 t -66.42 -26.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.133 -0.485 . . . . 0.33 109.692 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -63.66 -44.97 92.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.347 0.594 . . . . 0.43 110.147 173.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.59 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -63.98 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 0.4 110.271 175.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.769 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.48 -42.72 42.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.297 -0.865 . . . . 0.28 112.793 -172.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.468 ' HB2' HG12 ' A' ' 75' ' ' ILE . 96.3 mt -64.35 -34.49 78.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.388 0.613 . . . . 0.33 109.451 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' B' ' 79' ' ' ALA . 3.3 tmtp? -64.43 -44.71 90.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.334 -0.848 . . . . 1.67 109.36 174.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' B' ' 88' ' ' HIS . . . -64.01 -20.4 65.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.825 -0.625 . . . . 0.48 111.28 175.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.497 ' HB1' ' HG2' ' A' ' 9' ' ' GLU . . . -79.98 -55.4 4.99 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.808 0.299 . . . . 0.57 111.808 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -80.52 -46.35 15.97 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.496 0.665 . . . . 2.68 110.718 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.524 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.6 t80 -88.11 26.12 1.45 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.757 -1.111 . . . . 1.8 109.194 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' B' ' 84' ' ' ALA . 37.6 t-80 -45.35 6.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.876 1.67 . . . . 3.27 114.72 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.524 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -65.93 -45.2 82.7 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.985 -0.746 . . . . 1.27 108.985 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 . . . . . 0 C--N 1.341 0.214 0 C-N-CA 124.987 1.315 . . . . 3.47 108.933 177.0 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.556 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 7.9 pt-20 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.632 0.253 . . . . 3.1 111.5 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.74 -34.61 39.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.61 0.719 . . . . 2.51 110.626 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.446 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.8 m80 -79.46 -49.13 12.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.617 -0.72 . . . . 2.16 110.34 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.692 HD13 ' HB1' ' B' ' 81' ' ' ALA . 78.0 mt -60.84 -60.44 3.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.101 -0.499 . . . . 0.34 111.002 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -71.38 -23.01 61.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 2.41 110.375 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.22 -38.22 96.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.502 -0.856 . . . . 0.44 111.877 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 7' ' ' HIS . 79.3 mt -72.34 -42.56 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.212 0.529 . . . . 1.16 109.891 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 85' ' ' ALA . 52.7 t -58.79 -37.25 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.238 -0.892 . . . . 0.57 110.756 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.578 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 32.8 t30 -61.9 -46.52 89.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 1.42 110.704 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.9 mm -63.9 -34.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 2.06 110.684 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.3 -45.49 84.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.634 0.73 . . . . 2.57 109.413 173.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -68.11 -20.99 64.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.307 -0.86 . . . . 2.23 110.666 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 31.1 mm-40 . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 113.717 1.006 . . . . 2.77 113.717 -174.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 108.906 -0.776 . . . . 2.91 108.906 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 m -97.27 -171.09 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.602 -0.726 . . . . 1.35 112.134 -173.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -55.39 -36.84 66.82 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 112.744 0.646 . . . . 1.32 112.744 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.91 -46.12 94.08 Favored Glycine 0 CA--C 1.512 -0.15 0 C-N-CA 120.701 -0.761 . . . . 0.4 112.733 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.28 -41.04 94.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.351 0.596 . . . . 2.44 110.462 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.719 HD11 HD22 ' A' ' 77' ' ' LEU . 19.0 tp -65.04 -49.94 68.16 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.998 . . . . 0.52 109.682 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 77.6 tttt -52.99 -46.46 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.41 -0.814 . . . . 1.87 110.843 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 26.4 tt0 -52.81 -62.08 1.88 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.73 -0.668 . . . . 2.46 110.182 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.91 -49.52 62.88 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.191 0.52 . . . . 0.45 110.881 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.5 mt -60.58 -51.08 70.92 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.912 0.708 . . . . 0.45 112.912 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 25.3 p -67.61 -28.21 67.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.093 0.405 . . . . 1.23 112.093 -174.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.2 ptmm? -97.3 -32.41 11.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.887 0.699 . . . . 1.61 112.887 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 41.3 mm-40 -101.3 -46.8 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.91 0.386 . . . . 1.67 111.397 -172.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 8' ' ' LEU . 18.6 mt -102.49 25.23 9.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.258 0.551 . . . . 1.42 109.71 -176.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.52 ' HA ' HG21 ' A' ' 48' ' ' ILE . . . -53.98 -27.36 30.97 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.741 -1.118 . . . . 0.78 112.803 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.77 -12.73 16.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.98 0.363 . . . . 2.16 111.98 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.556 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.1 m -95.81 -62.89 1.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.515 0.674 . . . . 0.66 110.915 -166.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.518 HG21 HD11 ' A' ' 57' ' ' ILE . 55.7 mt -78.4 135.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.92 -1.037 . . . . 0.6 109.718 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.75 23.3 Favored 'General case' 0 CA--C 1.516 -0.343 0 O-C-N 123.354 0.408 . . . . 1.61 110.287 -176.55 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 81.8 m-20 43.54 44.63 5.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.874 0.734 . . . . 1.48 112.004 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.52 HG21 ' HA ' ' A' ' 42' ' ' ALA . 9.1 tp -60.84 -5.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.973 0.892 . . . . 0.55 110.85 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HA ' HG22 ' A' ' 38' ' ' THR . 11.4 mmmm -85.51 -15.41 42.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.971 -1.013 . . . . 1.11 109.921 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.0 129.72 35.07 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.24 -0.891 . . . . 1.58 110.922 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.6 -27.03 68.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.984 -1.007 . . . . 0.92 110.269 177.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.48 -38.52 74.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.195 -0.669 . . . . 0.67 109.195 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 57' ' ' ILE . 40.3 t -70.59 -44.06 77.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.679 -1.146 . . . . 0.6 109.147 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 39.4 mt -64.47 -37.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 114.716 -1.129 . . . . 0.42 111.394 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 12.6 t70 -63.78 -51.11 66.28 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.798 -0.816 . . . . 1.53 108.798 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -50.11 -44.56 52.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.935 -1.03 . . . . 1.77 111.668 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.586 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 69.5 mt -67.86 -58.02 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.241 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 69' ' ' VAL . 91.3 t80 -52.85 -46.38 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 1.68 110.853 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 16.1 mm100 -68.12 -25.17 65.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.571 -0.74 . . . . 1.92 110.617 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.63 -26.43 63.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.043 -0.598 . . . . 0.53 112.264 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.615 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -91.44 -41.89 10.6 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.458 -0.571 . . . . 0.58 109.458 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.34 74.77 1.01 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.431 -0.804 . . . . 1.4 110.341 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.41 -16.68 61.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.004 -0.998 . . . . 1.3 110.053 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -74.26 -21.18 59.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.446 -0.797 . . . . 2.8 109.999 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 60.4 27.63 17.23 Favored 'General case' 0 CA--C 1.524 -0.046 0 CA-C-N 114.995 -1.002 . . . . 2.72 111.024 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -114.95 9.38 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 2.13 110.301 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 44.1 mt-10 62.0 51.41 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.262 -0.881 . . . . 2.02 110.523 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -139.8 116.74 11.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 2.16 111.325 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' CE1' ' A' ' 58' ' ' PHE . 56.0 t -97.6 115.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 1.81 110.874 175.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -91.64 173.08 8.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.837 -0.801 . . . . 2.02 108.837 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -53.77 -38.46 64.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.427 0.558 . . . . 2.17 110.391 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.641 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 20.7 tt0 -64.21 -43.65 94.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 1.66 111.738 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.615 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.6 mm-40 -71.57 -36.06 70.78 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.493 0.663 . . . . 1.99 109.503 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.506 ' O ' HG23 ' A' ' 78' ' ' VAL . 49.8 t80 -64.56 -26.86 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.468 -0.787 . . . . 1.92 109.556 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.73 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.7 OUTLIER -63.26 -40.57 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.195 -0.911 . . . . 0.67 109.398 175.705 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD13 ' A' ' 80' ' ' ILE . 23.6 m -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.409 -0.814 . . . . 0.74 109.876 174.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.719 HD22 HD11 ' A' ' 33' ' ' LEU . 15.5 tp -57.5 -45.91 84.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.621 0.248 . . . . 1.15 110.697 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 74' ' ' PHE . 10.7 t -63.78 -32.29 56.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.644 -0.502 . . . . 0.33 109.644 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.11 -49.33 78.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.444 0.64 . . . . 0.43 109.683 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -43.63 83.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.124 -0.943 . . . . 0.4 110.422 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.694 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.02 -29.43 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.39 -0.823 . . . . 0.28 112.589 -173.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 84.5 mt -72.38 -39.25 68.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.956 0.407 . . . . 0.33 110.103 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.718 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 27.9 mmmt -64.44 -38.1 89.86 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.033 -0.729 . . . . 1.67 109.033 171.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -64.14 -22.25 66.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.392 -0.367 . . . . 0.48 111.414 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.29 -53.46 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.953 0.353 . . . . 0.57 111.953 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' A' ' 88' ' ' HIS . 43.6 t-80 -85.9 -44.74 12.15 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.275 0.559 . . . . 2.68 110.742 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.547 ' C ' ' H ' ' A' ' 89' ' ' THR . 12.2 t80 -83.39 22.93 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.235 -0.893 . . . . 1.8 109.283 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 1.1 t60 -47.57 17.93 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.777 2.031 . . . . 3.26 114.911 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.9 t -87.25 -44.81 11.17 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 . . . . . 0 N--CA 1.465 0.277 0 C-N-CA 124.239 1.016 . . . . 3.47 109.122 174.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.556 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 7.9 pt-20 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.536 0.207 . . . . 3.1 111.482 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -51.61 -34.74 38.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 2.51 110.761 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.441 ' O ' HG13 ' B' ' 11' ' ' ILE . 38.7 m80 -79.23 -49.18 12.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.574 -0.739 . . . . 2.16 110.408 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.694 HD13 ' HB1' ' A' ' 81' ' ' ALA . 78.3 mt -61.08 -60.26 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.559 0.537 . . . . 0.34 110.968 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.52 -22.88 61.72 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.904 -0.589 . . . . 2.41 110.457 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.597 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.23 -38.24 96.16 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.674 -0.774 . . . . 0.44 111.739 175.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 7' ' ' HIS . 79.2 mt -72.43 -42.56 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.171 0.51 . . . . 1.16 109.876 177.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 85' ' ' ALA . 52.2 t -58.69 -37.33 65.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 0.57 110.818 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 32.5 t30 -61.74 -46.61 88.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.42 110.662 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -63.97 -34.11 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 2.06 110.609 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -57.43 -45.12 85.02 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.535 0.683 . . . . 2.58 109.461 173.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.33 -21.09 64.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.322 -0.854 . . . . 2.23 110.686 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 30.9 mm-40 . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 113.572 0.953 . . . . 2.77 113.572 -174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 108.927 -0.768 . . . . 2.91 108.927 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.6 m -97.26 -171.09 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.623 -0.717 . . . . 1.35 112.15 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -55.42 -37.01 67.11 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.737 0.643 . . . . 1.32 112.737 -169.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -46.78 92.52 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.687 -0.768 . . . . 0.4 112.695 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.89 -41.17 95.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.394 0.616 . . . . 2.43 110.464 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.742 HD11 HD22 ' B' ' 77' ' ' LEU . 19.1 tp -65.0 -49.94 68.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.961 -1.018 . . . . 0.52 109.697 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 77.6 tttt -52.79 -46.66 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 1.87 110.824 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 25.9 tt0 -52.8 -61.9 1.99 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.661 -0.699 . . . . 2.45 110.218 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.1 -49.45 63.57 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.122 0.487 . . . . 0.45 110.861 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.5 mt -60.55 -51.07 71.01 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.888 0.699 . . . . 0.45 112.888 -174.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 25.2 p -67.71 -28.09 67.37 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.96 0.356 . . . . 1.23 111.96 -174.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.2 ptmm? -97.35 -32.42 11.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.967 0.729 . . . . 1.62 112.967 -177.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.449 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 41.4 mm-40 -101.19 -46.81 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.429 . . . . 1.67 111.409 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.504 HD22 HD11 ' A' ' 8' ' ' LEU . 18.6 mt -102.4 25.29 9.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.323 0.582 . . . . 1.42 109.709 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.537 ' HA ' HG21 ' B' ' 48' ' ' ILE . . . -54.24 -27.16 32.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.752 -1.113 . . . . 0.78 112.741 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -103.89 -12.7 16.72 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.91 0.337 . . . . 2.16 111.91 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.556 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.1 m -95.55 -63.11 1.19 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.52 0.676 . . . . 0.66 110.988 -166.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.535 HG21 HD11 ' B' ' 57' ' ' ILE . 56.0 mt -78.48 135.27 26.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.873 -1.058 . . . . 0.6 109.615 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.76 23.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 123.34 0.4 . . . . 1.61 110.35 -176.581 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.458 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 80.2 m-20 43.64 44.77 5.52 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.996 0.81 . . . . 1.48 111.798 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.537 HG21 ' HA ' ' B' ' 42' ' ' ALA . 9.1 tp -60.91 -5.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.994 0.902 . . . . 0.56 110.763 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' B' ' 47' ' ' ASN . 11.4 mmmm -85.72 -15.5 42.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.98 -1.009 . . . . 1.11 109.777 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.02 129.8 35.07 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.306 -0.861 . . . . 1.59 110.848 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.39 -27.22 69.16 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.954 -1.021 . . . . 0.92 110.239 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.59 74.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.166 -0.679 . . . . 0.67 109.166 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.46 ' O ' HG13 ' B' ' 57' ' ' ILE . 40.7 t -70.34 -44.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.74 -1.118 . . . . 0.6 109.169 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 39.8 mt -64.41 -37.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.694 -1.139 . . . . 0.42 111.395 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 11.9 t70 -63.94 -51.02 66.37 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.711 -0.848 . . . . 1.53 108.711 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -50.1 -44.7 52.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.878 -1.055 . . . . 1.77 111.655 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 69.8 mt -67.78 -58.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.17 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' B' ' 69' ' ' VAL . 91.2 t80 -52.67 -46.51 67.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 1.67 110.799 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.6 mm100 -68.14 -24.69 65.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 1.91 110.734 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.59 -25.41 63.06 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.978 -0.629 . . . . 0.53 112.274 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.607 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -92.11 -41.55 10.42 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.518 -0.549 . . . . 0.59 109.518 179.294 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.62 75.27 1.09 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.93 0.871 . . . . 1.4 110.381 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.8 -16.72 61.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.919 -1.037 . . . . 1.31 110.117 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.01 -21.3 60.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.341 -0.845 . . . . 2.8 110.032 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 60.4 27.42 17.01 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 114.965 -1.016 . . . . 2.72 110.985 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -114.78 9.67 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 2.14 110.36 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.401 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 44.9 mt-10 61.95 51.03 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.376 -0.829 . . . . 2.01 110.66 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -139.48 117.21 11.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 2.16 111.146 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.46 HG23 ' CE1' ' B' ' 58' ' ' PHE . 55.4 t -97.88 115.74 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.853 -0.612 . . . . 1.81 110.99 175.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.77 172.95 8.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.774 -0.824 . . . . 2.02 108.774 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -53.56 -38.49 63.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.396 0.543 . . . . 2.18 110.358 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.639 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 20.4 tt0 -64.24 -43.53 94.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.952 -0.567 . . . . 1.67 111.747 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.6 mm-40 -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.499 0.666 . . . . 1.99 109.519 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.506 ' O ' HG23 ' B' ' 78' ' ' VAL . 49.9 t80 -64.69 -26.54 68.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.509 -0.769 . . . . 1.92 109.587 173.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.718 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -63.61 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.155 -0.93 . . . . 0.67 109.259 175.793 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.54 ' O ' HD13 ' B' ' 80' ' ' ILE . 23.3 m -59.83 -39.92 86.74 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.446 -0.797 . . . . 0.74 109.846 174.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.742 HD22 HD11 ' B' ' 33' ' ' LEU . 15.6 tp -57.55 -46.03 84.39 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.714 0.293 . . . . 1.14 110.738 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 74' ' ' PHE . 10.6 t -63.54 -32.43 56.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.655 -0.498 . . . . 0.33 109.655 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.82 -49.74 76.51 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.522 0.677 . . . . 0.43 109.727 174.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.27 -43.78 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.012 -0.995 . . . . 0.4 110.455 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.88 -29.46 58.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.408 -0.814 . . . . 0.28 112.645 -173.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 84.4 mt -72.5 -39.18 67.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.932 0.396 . . . . 0.33 110.155 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.73 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 27.8 mmmt -64.43 -38.07 89.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.999 -0.741 . . . . 1.67 108.999 170.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -64.23 -22.28 66.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.366 -0.379 . . . . 0.48 111.453 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.28 -53.83 6.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.833 0.309 . . . . 0.57 111.833 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' B' ' 88' ' ' HIS . 43.1 t-80 -85.7 -44.4 12.58 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.26 0.552 . . . . 2.68 110.772 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.564 ' C ' ' H ' ' B' ' 89' ' ' THR . 12.1 t80 -83.56 22.78 1.02 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.216 -0.902 . . . . 1.8 109.327 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' B' ' 86' ' ' HIS . 1.1 t60 -47.56 18.08 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.752 2.021 . . . . 3.27 114.917 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.564 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.2 t -87.33 -44.76 11.16 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.228 -0.656 . . . . 1.27 109.228 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 . . . . . 0 CA--C 1.519 -0.221 0 C-N-CA 124.342 1.057 . . . . 3.47 109.152 175.145 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.33 0.11 . . . . 3.1 110.978 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.473 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 11.1 tp10 -53.84 -28.54 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.521 0.513 . . . . 2.51 112.326 -174.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.63 -42.76 64.07 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.193 -0.603 . . . . 2.16 111.878 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.554 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 97.6 mt -81.01 -58.1 3.23 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.486 0.66 . . . . 0.34 110.008 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.26 -26.66 65.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.971 -1.013 . . . . 2.41 110.006 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -68.86 -44.65 67.8 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.44 111.684 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.625 HG21 HG21 ' A' ' 78' ' ' VAL . 5.4 mm -54.53 -47.93 70.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.523 0.678 . . . . 1.16 109.941 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.401 HG13 ' ND1' ' B' ' 86' ' ' HIS . 73.7 t -62.11 -40.94 89.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 0.57 111.516 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -73.94 -27.83 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 1.42 111.0 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 10' ' ' GLY . 51.1 mt -74.73 -35.35 36.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 120.818 0.342 . . . . 2.06 110.746 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.629 -0.878 . . . . 2.57 108.629 172.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -67.14 -21.64 65.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.051 -0.977 . . . . 2.23 111.022 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 57.8 tp60 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.507 -0.315 . . . . 2.77 110.777 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 120.844 0.354 . . . . 2.91 110.722 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -101.23 -172.75 2.22 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.496 0.554 . . . . 1.35 112.496 -172.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.06 -29.16 70.11 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.564 -0.289 . . . . 1.32 111.144 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.4 -46.83 86.5 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.263 -0.494 . . . . 0.4 113.075 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.26 -46.07 85.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.334 0.588 . . . . 2.44 110.33 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.671 HD11 ' HG ' ' A' ' 77' ' ' LEU . 33.0 tp -64.55 -42.42 95.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.069 -0.969 . . . . 0.52 110.44 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HA ' HD13 ' A' ' 54' ' ' ILE . 81.1 tttt -55.44 -46.61 76.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.511 . . . . 1.87 110.738 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.6 mp0 -59.68 -57.56 12.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 2.46 110.529 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.46 -46.48 63.08 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 121.187 0.518 . . . . 0.45 110.67 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.547 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 96.0 mt -65.43 -48.73 71.74 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 112.096 0.406 . . . . 0.45 112.096 -176.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -66.93 -30.84 71.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.799 0.333 . . . . 1.23 111.823 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.1 OUTLIER -97.43 -33.11 11.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.919 0.711 . . . . 1.61 112.919 -177.322 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.65 -32.55 11.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.1 -0.24 . . . . 1.67 111.539 -170.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' B' ' 8' ' ' LEU . 18.5 mt -120.2 25.51 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.153 0.502 . . . . 1.42 109.872 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -49.77 -42.41 46.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.822 -1.081 . . . . 0.78 113.317 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -105.82 14.04 28.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.841 0.353 . . . . 2.16 111.423 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.47 -58.4 1.88 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.478 0.656 . . . . 0.66 110.104 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.0 mt -86.15 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.946 -1.024 . . . . 0.6 109.947 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.527 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.72 124.37 18.88 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 110.187 -0.301 . . . . 1.61 110.187 -178.683 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.527 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.0 m120 45.63 43.98 9.81 Favored 'General case' 0 CA--C 1.519 -0.227 0 O-C-N 123.815 0.697 . . . . 1.48 111.945 176.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -64.1 -6.4 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.038 0.923 . . . . 0.55 110.581 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.6 OUTLIER -84.16 -10.84 57.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.936 -1.029 . . . . 1.11 109.932 178.562 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.41 127.98 37.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.171 -0.922 . . . . 1.58 110.685 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -23.82 65.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.562 -0.745 . . . . 0.92 110.457 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -35.31 76.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.124 -0.695 . . . . 0.67 109.124 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.87 -46.46 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.638 -1.165 . . . . 0.6 109.385 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 34' ' ' LYS . 34.8 mt -60.71 -41.04 86.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.871 -1.058 . . . . 0.42 111.44 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.5 t70 -63.64 -51.78 63.65 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.965 -0.562 . . . . 1.53 109.57 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -47.46 -45.48 25.99 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.952 0.782 . . . . 1.77 111.516 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.467 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.1 mt -73.97 -52.83 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.367 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -53.49 -44.54 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 1.68 110.664 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 15.9 mm100 -70.45 -24.65 62.93 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.179 -0.918 . . . . 1.92 110.45 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -25.29 75.57 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.53 111.688 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -91.45 -44.29 9.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.339 -0.615 . . . . 0.58 109.339 177.105 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.82 73.98 0.59 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.205 -0.907 . . . . 1.4 110.29 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -23.37 60.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.102 -0.954 . . . . 1.3 110.519 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.85 -17.72 57.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 2.8 110.512 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 60.9 34.12 19.66 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 114.968 -1.015 . . . . 2.72 111.565 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -98.12 -4.65 35.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.694 0.759 . . . . 2.13 109.385 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 68.48 49.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.184 -1.371 . . . . 2.02 110.27 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -145.89 143.75 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.447 -0.797 . . . . 2.16 109.899 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -106.26 108.3 24.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.575 0.702 . . . . 1.81 111.294 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.7 167.16 9.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.653 -0.703 . . . . 2.02 109.603 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -59.46 -36.51 76.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.163 -0.68 . . . . 2.17 109.163 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.544 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 32.0 tt0 -65.62 -42.31 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.393 -0.821 . . . . 1.66 111.069 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.3 mt-10 -72.92 -29.98 63.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.262 0.553 . . . . 1.99 110.09 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 83.8 t80 -73.06 -21.37 60.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.69 0.757 . . . . 1.92 109.607 172.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.569 HD13 ' HG2' ' B' ' 83' ' ' LYS . 1.6 mt -72.14 -41.84 67.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.154 -0.93 . . . . 0.67 109.895 177.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.621 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.4 p -67.6 -28.84 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.126 -0.488 . . . . 0.74 110.031 172.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.671 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.4 tm? -57.64 -48.67 78.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 1.15 110.394 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.625 HG21 HG21 ' A' ' 11' ' ' ILE . 26.3 t -66.18 -32.41 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.996 -0.547 . . . . 0.33 110.105 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' B' ' 75' ' ' ILE . . . -61.43 -43.33 99.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 0.43 110.082 174.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -59.77 -44.79 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.426 -0.807 . . . . 0.4 110.516 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -71.68 -29.29 64.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.601 -0.727 . . . . 0.28 111.345 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 74.8 mt -67.84 -32.66 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.069 0.462 . . . . 0.33 110.027 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' HG2' HD13 ' B' ' 75' ' ' ILE . 0.1 OUTLIER -66.23 -41.34 90.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.058 -0.519 . . . . 1.67 109.685 173.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -66.86 -21.42 66.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.355 -0.838 . . . . 0.48 111.065 175.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.35 -52.71 6.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.433 -0.349 . . . . 0.57 111.699 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -84.79 -54.33 4.76 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.441 0.639 . . . . 2.68 110.93 -175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 89' ' ' THR . 2.6 t80 -88.09 24.83 1.73 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.157 -0.929 . . . . 1.8 109.312 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.421 ' HB3' ' O ' ' A' ' 84' ' ' ALA . 5.6 p-80 -45.54 19.26 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 116.769 2.137 . . . . 3.26 116.769 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 87' ' ' TYR . 3.9 t -76.01 -44.92 37.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 118.756 0.707 . . . . 1.26 109.296 174.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 . . . . . 0 C--O 1.224 -0.273 0 C-N-CA 123.546 0.738 . . . . 3.47 110.144 178.431 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.343 0.116 . . . . 3.1 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.476 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 10.8 tp10 -54.21 -28.35 40.41 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.495 0.497 . . . . 2.51 112.264 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -42.82 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.278 -0.569 . . . . 2.16 111.786 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.546 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 97.7 mt -81.01 -58.04 3.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.565 0.697 . . . . 0.34 110.086 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.16 -26.74 65.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.75 -1.114 . . . . 2.41 109.999 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -68.92 -44.47 68.15 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.722 -0.672 . . . . 0.44 111.853 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.622 HG21 HG21 ' B' ' 78' ' ' VAL . 5.5 mm -54.65 -47.76 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.488 0.661 . . . . 1.16 109.967 173.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.27 -41.14 90.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.837 -1.074 . . . . 0.57 111.469 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -73.73 -27.71 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 1.42 111.134 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 51.5 mt -74.88 -35.4 35.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 120.915 0.388 . . . . 2.06 110.768 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -62.97 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.661 -0.866 . . . . 2.58 108.661 172.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -67.26 -21.71 65.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.007 -0.997 . . . . 2.23 111.029 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 56.3 tp60 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.462 -0.336 . . . . 2.77 110.676 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.6 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 120.882 0.373 . . . . 2.91 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -101.2 -172.72 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.485 0.55 . . . . 1.35 112.485 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.99 -29.25 70.13 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.389 0.276 . . . . 1.32 111.037 -176.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.46 -46.82 86.95 Favored Glycine 0 CA--C 1.517 0.179 0 C-N-CA 121.259 -0.496 . . . . 0.4 113.008 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -64.21 -46.03 85.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.582 . . . . 2.43 110.294 -178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.668 HD11 ' HG ' ' B' ' 77' ' ' LEU . 33.0 tp -64.54 -42.56 95.65 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.009 -0.996 . . . . 0.52 110.424 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.442 ' HA ' HD13 ' B' ' 54' ' ' ILE . 81.3 tttt -55.34 -46.54 76.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.014 -0.539 . . . . 1.87 110.833 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.6 mp0 -59.76 -57.46 12.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.43 . . . . 2.45 110.54 175.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.63 -46.6 63.72 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.561 0.538 . . . . 0.45 110.585 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.55 ' CD1' ' HG ' ' B' ' 33' ' ' LEU . 96.0 mt -65.09 -49.11 71.28 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.032 0.382 . . . . 0.45 112.032 -176.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.581 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.1 p -66.59 -30.98 71.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.386 -0.37 . . . . 1.23 111.841 -175.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.1 OUTLIER -97.37 -33.24 11.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.861 0.689 . . . . 1.62 112.861 -177.191 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.44 -32.96 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.578 0.228 . . . . 1.67 111.462 -170.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 8' ' ' LEU . 18.4 mt -119.91 25.49 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 1.42 109.854 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.515 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -49.6 -42.65 45.18 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.803 -1.09 . . . . 0.78 113.221 -175.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -105.56 13.44 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.843 0.354 . . . . 2.16 111.528 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.05 -58.3 1.9 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.717 0.77 . . . . 0.66 110.185 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.0 mt -86.26 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 114.862 -1.063 . . . . 0.6 109.923 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.529 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -57.6 124.5 19.28 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 110.124 -0.325 . . . . 1.61 110.124 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.529 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.4 m120 45.2 44.15 8.53 Favored 'General case' 0 CA--C 1.519 -0.248 0 O-C-N 123.821 0.701 . . . . 1.48 111.963 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.5 tp -63.94 -6.31 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.957 0.884 . . . . 0.56 110.568 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.581 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.6 OUTLIER -84.18 -11.07 57.17 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.012 -0.995 . . . . 1.11 109.909 178.583 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.28 128.08 36.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.17 -0.923 . . . . 1.59 110.535 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -23.93 65.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.598 -0.728 . . . . 0.92 110.447 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.9 75.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.108 -0.701 . . . . 0.67 109.108 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.09 -46.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.701 -1.136 . . . . 0.6 109.4 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' B' ' 34' ' ' LYS . 34.7 mt -60.83 -41.04 87.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.867 -1.061 . . . . 0.42 111.457 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 24.2 t70 -63.64 -51.68 64.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.474 -0.565 . . . . 1.53 109.474 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -47.41 -45.52 25.51 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.575 -0.739 . . . . 1.77 111.607 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 93.3 mt -74.05 -52.78 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.405 -0.362 . . . . 1.0 111.332 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -53.58 -44.35 69.29 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.899 -0.591 . . . . 1.67 110.709 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.8 mm100 -70.58 -24.77 62.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.117 -0.947 . . . . 1.91 110.309 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.21 -25.0 75.81 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.965 -0.636 . . . . 0.53 111.751 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.3 OUTLIER -91.66 -44.33 9.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.329 -0.619 . . . . 0.59 109.329 176.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.412 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 22.1 t70 -70.61 73.97 0.55 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.241 -0.89 . . . . 1.4 110.38 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.74 -23.66 60.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.116 -0.947 . . . . 1.31 110.464 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -77.87 -17.52 57.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.341 -0.845 . . . . 2.8 110.478 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLN . . . . . 0.412 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 74.2 mt-30 60.65 34.38 20.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 114.954 -1.021 . . . . 2.72 111.547 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.17 -4.89 34.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.629 0.728 . . . . 2.14 109.15 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 68.66 49.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.303 -1.317 . . . . 2.01 110.257 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -145.89 144.02 29.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.463 -0.79 . . . . 2.16 109.784 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -106.6 108.2 24.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.607 0.718 . . . . 1.81 111.243 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.76 167.09 9.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.651 -0.704 . . . . 2.02 109.598 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.47 -36.24 75.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.188 -0.671 . . . . 2.18 109.188 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 32.4 tt0 -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.418 -0.81 . . . . 1.67 111.077 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.9 mt-10 -72.96 -29.95 63.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.238 0.542 . . . . 1.99 110.038 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.561 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 84.1 t80 -73.12 -21.31 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.646 0.736 . . . . 1.92 109.623 172.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.556 HD13 ' HG2' ' A' ' 83' ' ' LYS . 1.6 mt -72.13 -41.84 67.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.231 -0.895 . . . . 0.67 109.866 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.616 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.3 p -67.74 -28.82 67.97 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.062 -0.517 . . . . 0.74 110.005 172.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.668 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.4 tm? -57.6 -48.54 79.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 1.14 110.378 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.622 HG21 HG21 ' B' ' 11' ' ' ILE . 26.4 t -66.31 -32.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.052 -0.522 . . . . 0.33 109.988 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 75' ' ' ILE . . . -61.32 -43.33 99.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.28 0.562 . . . . 0.43 110.135 174.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.616 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -59.92 -44.77 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.436 -0.802 . . . . 0.4 110.432 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.554 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -71.63 -29.38 64.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.637 -0.711 . . . . 0.28 111.341 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 74.5 mt -67.89 -32.46 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 0.33 109.989 173.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.569 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -66.45 -41.37 89.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.04 -0.527 . . . . 1.67 109.704 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -66.72 -21.31 66.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.334 -0.848 . . . . 0.48 111.178 175.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.43 -52.72 6.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.33 -0.396 . . . . 0.57 111.787 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.401 ' ND1' HG13 ' A' ' 12' ' ' VAL . 2.1 t-160 -84.85 -54.29 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 2.68 110.879 -175.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.486 ' O ' ' N ' ' B' ' 89' ' ' THR . 2.5 t80 -88.21 24.84 1.76 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.173 -0.921 . . . . 1.8 109.366 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' B' ' 84' ' ' ALA . 5.6 p-80 -45.6 19.54 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.729 2.122 . . . . 3.27 116.729 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.486 ' N ' ' O ' ' B' ' 87' ' ' TYR . 3.9 t -76.1 -44.78 37.09 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.781 0.719 . . . . 1.27 109.376 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 . . . . . 0 CA--C 1.52 -0.186 0 C-N-CA 123.559 0.744 . . . . 3.47 109.959 178.368 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 121.451 0.643 . . . . 3.1 110.298 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.49 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 20.9 tt0 -53.94 -22.79 11.01 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.121 -0.945 . . . . 2.51 111.254 173.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.614 ' O ' HG13 ' A' ' 11' ' ' ILE . 33.0 m-70 -71.03 -47.68 57.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 122.222 -0.299 . . . . 2.16 110.945 -177.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.845 HD13 ' HB1' ' B' ' 81' ' ' ALA . 69.6 mt -73.19 -62.37 1.49 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.602 0.239 . . . . 0.34 111.339 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HG3' ' HB1' ' B' ' 85' ' ' ALA . 2.1 mp0 -63.04 -24.67 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 2.41 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.634 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -70.02 -43.76 63.79 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.753 -0.658 . . . . 0.44 112.433 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 7' ' ' HIS . 77.3 mt -65.03 -38.88 83.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.357 0.598 . . . . 1.16 109.522 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' B' ' 85' ' ' ALA . 86.4 t -61.0 -38.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.181 -0.918 . . . . 0.57 110.24 174.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -68.62 -34.67 76.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.582 -0.735 . . . . 1.42 110.934 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.634 HG13 ' O ' ' A' ' 10' ' ' GLY . 70.1 mt -60.97 -46.5 96.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.432 -0.349 . . . . 2.06 110.299 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 50.9 t80 -64.53 -47.73 77.73 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 2.57 109.852 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.55 -25.35 64.46 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.912 -0.586 . . . . 2.23 110.926 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.348 -0.387 . . . . 2.77 110.25 -179.029 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 110.024 -0.361 . . . . 2.91 110.024 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -103.24 -172.25 2.08 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.185 0.439 . . . . 1.35 112.185 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.85 -34.07 75.99 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.946 0.35 . . . . 1.32 111.946 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.04 -48.73 80.92 Favored Glycine 0 N--CA 1.462 0.382 0 C-N-CA 120.93 -0.652 . . . . 0.4 113.705 -173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.94 -31.47 69.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 2.44 111.071 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.527 HD11 HD22 ' A' ' 77' ' ' LEU . 23.2 tp -67.95 -44.31 77.06 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.681 -0.691 . . . . 0.52 109.369 175.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -54.92 -44.86 74.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.296 -0.866 . . . . 1.87 110.995 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.6 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 75.2 mt-30 -54.64 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 2.46 110.23 174.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.97 -46.63 43.83 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.958 0.786 . . . . 0.45 110.818 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.525 HD21 HD21 ' A' ' 77' ' ' LEU . 96.3 mt -65.83 -51.64 57.22 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.608 0.595 . . . . 0.45 112.608 -176.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 49' ' ' LYS . 37.7 p -67.14 -32.15 73.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.808 0.299 . . . . 1.23 111.808 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 11.4 ptmm? -97.69 -33.17 11.4 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.975 0.731 . . . . 1.61 112.975 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 18.2 mm-40 -95.28 -46.83 6.57 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.342 0.591 . . . . 1.67 110.518 -173.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.677 ' HG ' HD11 ' B' ' 8' ' ' LEU . 8.2 mp -98.86 23.19 9.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 1.42 110.469 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -61.15 -13.58 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.425 -0.807 . . . . 0.78 112.629 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.61 -5.75 15.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 2.16 111.683 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -110.57 -60.45 1.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.31 -0.556 . . . . 0.66 111.566 -169.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.572 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 55.4 mt -79.05 142.41 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.569 -0.742 . . . . 0.6 110.094 -175.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -65.12 123.67 20.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.802 -0.444 . . . . 1.61 109.802 -176.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.526 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.8 m120 46.76 43.09 12.66 Favored 'General case' 0 CA--C 1.519 -0.226 0 O-C-N 123.679 0.612 . . . . 1.48 111.646 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.572 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -62.46 -7.94 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 122.066 0.936 . . . . 0.55 110.781 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -83.34 -13.42 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.874 -1.057 . . . . 1.11 110.094 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.3 m-20 -88.54 128.94 35.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.177 -0.92 . . . . 1.58 110.526 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.04 -30.58 71.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.319 -0.855 . . . . 0.92 110.384 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.647 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -67.2 -36.84 82.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.226 -0.657 . . . . 0.67 109.226 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' HD13 ' A' ' 57' ' ' ILE . 23.3 t -72.78 -46.19 54.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.774 -1.103 . . . . 0.6 109.588 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 50' ' ' ASP . 44.7 mt -58.63 -34.99 52.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.577 -0.738 . . . . 0.42 110.955 177.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.89 -47.11 75.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.247 -1.019 . . . . 1.53 108.247 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.647 ' HG3' ' O ' ' A' ' 52' ' ' ALA . 42.0 mt-10 -55.52 -46.12 77.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.661 -1.154 . . . . 1.77 111.683 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.6 mp -67.4 -56.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.744 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.21 -45.44 79.86 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.807 -0.633 . . . . 1.68 110.583 -175.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -67.63 -26.56 66.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.589 -0.732 . . . . 1.92 110.747 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.3 -25.6 75.15 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.693 -0.765 . . . . 0.53 111.855 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.41 -41.75 9.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.611 -0.514 . . . . 0.58 109.611 177.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.32 73.4 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 1.4 110.215 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.15 -17.74 51.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.288 -0.869 . . . . 1.3 109.578 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.83 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -1.059 . . . . 2.8 110.286 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 60.06 40.27 18.76 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 114.61 -1.177 . . . . 2.72 112.554 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -122.02 6.04 9.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.407 0.622 . . . . 2.13 110.129 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 62.86 59.41 1.39 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.934 -1.03 . . . . 2.02 110.12 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -148.97 116.18 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 2.16 110.336 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 73' ' ' GLU . 3.7 p -95.79 105.17 16.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.664 -0.698 . . . . 1.81 110.268 176.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.11 178.6 8.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.172 -0.467 . . . . 2.02 109.783 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.406 ' CE2' ' HD2' ' A' ' 15' ' ' PHE . 55.4 m-85 -62.5 -30.3 71.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.958 0.409 . . . . 2.17 110.007 175.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 47.9 tt0 -69.05 -43.91 73.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 1.66 110.986 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -67.47 -38.13 83.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.911 -0.774 . . . . 1.99 108.911 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.502 ' CD1' HD23 ' A' ' 77' ' ' LEU . 84.0 t80 -64.3 -27.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.076 -0.965 . . . . 1.92 110.47 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -64.89 -40.77 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.825 -0.625 . . . . 0.67 109.552 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.518 ' O ' HD13 ' A' ' 80' ' ' ILE . 70.5 m -62.93 -38.17 89.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.466 -0.788 . . . . 0.74 110.069 174.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 33' ' ' LEU . 19.0 tp -57.21 -44.8 84.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.506 -0.316 . . . . 1.15 111.037 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.547 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 22.0 t -66.82 -30.67 50.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.989 -0.374 . . . . 0.33 109.989 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -63.06 -47.34 83.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.15 0.5 . . . . 0.43 109.949 173.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -58.84 -41.39 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.44 -0.8 . . . . 0.4 110.62 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.883 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.05 -41.23 59.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.451 -0.795 . . . . 0.28 112.019 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.2 mt -61.85 -36.46 81.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.403 0.62 . . . . 0.33 109.346 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.486 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 3.7 tmtp? -64.56 -41.99 95.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.191 -0.913 . . . . 1.67 109.933 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.7 65.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.157 -0.474 . . . . 0.48 111.215 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.72 -59.64 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.271 -0.422 . . . . 0.57 111.384 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -76.21 -47.94 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.6 0.714 . . . . 2.68 110.952 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.59 ' C ' ' H ' ' A' ' 89' ' ' THR . 13.6 t80 -88.68 25.66 1.68 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.61 -1.177 . . . . 1.8 109.688 -177.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.51 ' C ' ' H ' ' A' ' 90' ' ' HIS . 33.3 t60 -47.32 16.82 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.755 1.622 . . . . 3.26 114.787 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.59 ' H ' ' C ' ' A' ' 87' ' ' TYR . 14.7 t -79.74 17.64 0.89 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.932 0.873 . . . . 1.26 108.987 171.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 88' ' ' HIS . 20.1 m170 . . . . . 0 CA--C 1.513 -0.469 0 CA-C-N 114.061 -1.427 . . . . 3.47 109.797 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 121.397 0.618 . . . . 3.1 110.217 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.49 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 20.7 tt0 -53.98 -22.61 10.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.142 -0.936 . . . . 2.51 111.317 173.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.618 ' O ' HG13 ' B' ' 11' ' ' ILE . 32.6 m-70 -71.07 -47.77 56.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.253 -0.28 . . . . 2.16 110.876 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.883 HD13 ' HB1' ' A' ' 81' ' ' ALA . 69.8 mt -73.17 -62.46 1.46 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.541 0.21 . . . . 0.34 111.358 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' B' ' 8' ' ' LEU . 2.2 mp0 -62.96 -24.47 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 2.41 110.338 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.654 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -70.36 -43.45 62.38 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.637 -0.71 . . . . 0.44 112.514 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 7' ' ' HIS . 77.4 mt -65.24 -39.01 84.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 117.392 0.596 . . . . 1.16 109.46 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 85' ' ' ALA . 88.9 t -60.7 -39.06 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.218 -0.901 . . . . 0.57 110.308 174.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.565 -0.743 . . . . 1.42 110.807 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.654 HG13 ' O ' ' B' ' 10' ' ' GLY . 70.2 mt -61.12 -46.23 97.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.507 -0.315 . . . . 2.06 110.317 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.41 ' HB2' ' CZ ' ' B' ' 74' ' ' PHE . 50.8 t80 -64.55 -47.77 77.53 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.838 -0.43 . . . . 2.58 109.838 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -59.69 -25.08 64.47 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 2.23 110.965 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 2.77 110.275 -179.016 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.124 -0.325 . . . . 2.91 110.124 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -103.26 -172.11 2.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.142 0.423 . . . . 1.35 112.142 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.88 -34.29 76.37 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 111.919 0.34 . . . . 1.32 111.919 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.53 -49.4 73.74 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 120.916 -0.659 . . . . 0.4 113.645 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.54 -31.35 69.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.058 0.456 . . . . 2.43 111.149 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.512 HD11 HD22 ' B' ' 77' ' ' LEU . 23.5 tp -68.01 -44.23 77.02 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.74 -0.664 . . . . 0.52 109.364 175.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.79 -45.23 74.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.332 -0.849 . . . . 1.87 110.935 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.592 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 75.4 mt-30 -54.44 -62.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 2.45 110.2 174.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.93 -46.7 43.57 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.569 -0.741 . . . . 0.45 110.905 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.539 HD21 HD21 ' B' ' 77' ' ' LEU . 96.2 mt -65.76 -51.65 57.43 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 112.548 0.573 . . . . 0.45 112.548 -176.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.619 HG22 ' HA ' ' B' ' 49' ' ' LYS . 37.2 p -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 111.849 0.315 . . . . 1.23 111.849 -174.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 11.4 ptmm? -97.67 -33.18 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.981 0.734 . . . . 1.62 112.981 -176.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.485 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 18.4 mm-40 -95.13 -46.99 6.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.67 110.537 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 8' ' ' LEU . 8.1 mp -98.73 23.22 9.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 1.42 110.543 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -61.29 -13.36 18.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.463 -0.789 . . . . 0.78 112.666 -177.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.53 -6.18 14.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.668 0.247 . . . . 2.16 111.668 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -110.51 -60.28 1.83 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.149 0.5 . . . . 0.66 111.708 -169.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 55.3 mt -79.29 142.35 14.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.635 -0.712 . . . . 0.6 110.108 -175.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.52 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -65.11 123.68 20.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.965 -0.383 . . . . 1.61 109.965 -176.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.52 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 10.3 m120 46.63 43.3 12.46 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 123.631 0.582 . . . . 1.48 111.545 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.4 tp -62.61 -7.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.903 0.858 . . . . 0.56 110.691 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.619 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.3 mmmm -83.48 -13.21 55.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.937 -1.029 . . . . 1.11 110.055 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.423 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.2 m-20 -88.57 128.66 35.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.039 -0.982 . . . . 1.59 110.61 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.75 -30.72 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.24 -0.891 . . . . 0.92 110.361 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.652 ' O ' ' HG3' ' B' ' 56' ' ' GLU . . . -67.24 -36.91 82.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.157 -0.682 . . . . 0.67 109.157 177.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.468 ' O ' HD13 ' B' ' 57' ' ' ILE . 23.4 t -72.63 -46.36 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.77 -1.104 . . . . 0.6 109.595 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 50' ' ' ASP . 44.0 mt -58.45 -35.14 52.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.445 -0.798 . . . . 0.42 110.831 177.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.71 -47.37 75.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.216 -1.031 . . . . 1.53 108.216 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.652 ' HG3' ' O ' ' B' ' 52' ' ' ALA . 42.8 mt-10 -55.57 -45.88 77.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.728 -1.124 . . . . 1.77 111.635 177.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.538 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.6 mp -67.35 -56.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.753 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.08 -45.44 79.38 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.734 -0.666 . . . . 1.67 110.572 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -67.76 -26.49 66.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.597 -0.729 . . . . 1.91 110.795 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.58 75.03 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.676 -0.773 . . . . 0.53 111.846 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.35 -42.11 9.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.486 -0.561 . . . . 0.59 109.486 177.78 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.93 73.3 1.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.449 -0.796 . . . . 1.4 110.225 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.88 -18.1 51.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.382 -0.826 . . . . 1.31 109.663 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -74.03 -18.79 60.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.824 -1.08 . . . . 2.8 110.387 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.02 39.89 19.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.749 -1.114 . . . . 2.72 112.569 174.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -121.67 6.1 10.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.319 0.58 . . . . 2.14 110.155 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 62.8 59.36 1.42 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.078 -0.965 . . . . 2.01 110.085 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.94 116.25 6.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.307 -0.86 . . . . 2.16 110.361 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' B' ' 73' ' ' GLU . 3.7 p -95.87 105.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.611 -0.722 . . . . 1.81 110.246 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -80.1 178.68 8.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.053 -0.521 . . . . 2.02 109.769 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.67 -30.25 71.25 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.56 -0.456 . . . . 2.18 110.028 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 48.5 tt0 -68.83 -44.29 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 1.67 110.955 175.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.4 mm-40 -67.16 -38.15 84.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.874 -0.788 . . . . 1.99 108.874 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.489 ' CD1' HD23 ' B' ' 77' ' ' LEU . 84.0 t80 -64.28 -27.33 68.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.04 -0.982 . . . . 1.92 110.434 174.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.553 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -65.18 -40.54 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.878 -0.601 . . . . 0.67 109.498 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.54 ' O ' HD13 ' B' ' 80' ' ' ILE . 66.8 m -63.18 -38.02 89.51 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.59 -0.732 . . . . 0.74 110.066 174.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.539 HD21 HD21 ' B' ' 37' ' ' LEU . 19.4 tp -57.23 -44.8 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.473 -0.33 . . . . 1.14 111.044 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.1 t -66.98 -30.59 50.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.937 -0.394 . . . . 0.33 109.937 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.81 -47.69 82.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.183 0.516 . . . . 0.43 109.956 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -58.71 -41.32 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 0.4 110.541 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.845 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -74.98 -41.4 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.444 -0.798 . . . . 0.28 112.07 -174.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 89.1 mt -61.78 -36.46 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.408 0.623 . . . . 0.33 109.37 174.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.471 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 3.7 tmtp? -64.54 -42.02 95.99 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.125 -0.943 . . . . 1.67 109.951 174.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.71 65.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.254 -0.43 . . . . 0.48 111.124 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.438 ' HB1' ' HG3' ' A' ' 9' ' ' GLU . . . -80.76 -59.23 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.384 -0.371 . . . . 0.57 111.535 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -76.62 -48.03 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.708 0.766 . . . . 2.68 110.786 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.592 ' C ' ' H ' ' B' ' 89' ' ' THR . 13.5 t80 -88.49 25.73 1.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.632 -1.167 . . . . 1.8 109.644 -177.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' B' ' 90' ' ' HIS . 32.6 t60 -47.58 17.27 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.724 1.61 . . . . 3.27 114.77 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.592 ' H ' ' C ' ' B' ' 87' ' ' TYR . 13.5 t -80.11 17.79 0.95 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.754 0.787 . . . . 1.27 108.968 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' B' ' 88' ' ' HIS . 20.3 m170 . . . . . 0 CA--C 1.511 -0.527 0 CA-C-N 114.206 -1.361 . . . . 3.47 109.662 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 113.9 1.074 . . . . 3.1 113.9 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.34 -34.3 46.64 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.004 0.742 . . . . 2.51 113.004 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -78.28 -35.08 48.45 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.109 -0.37 . . . . 2.16 111.727 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.692 HD13 ' HB1' ' B' ' 81' ' ' ALA . 62.1 mt -83.75 -54.84 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.048 0.452 . . . . 0.34 109.927 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.03 -27.9 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.434 -0.803 . . . . 2.41 110.423 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.429 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.71 -52.13 41.11 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.565 -0.743 . . . . 0.44 111.785 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 78' ' ' VAL . 15.0 mm -54.84 -48.18 74.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.045 0.45 . . . . 1.16 110.438 175.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.84 -44.2 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 0.57 111.423 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.61 -40.87 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 1.42 110.555 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 10' ' ' GLY . 22.1 mm -61.28 -44.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 2.06 110.698 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 44.5 t80 -61.28 -46.14 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 2.57 110.088 177.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -63.28 -21.88 66.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 2.23 111.155 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.496 -0.32 . . . . 2.77 111.627 -177.743 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.795 0.807 . . . . 2.91 109.02 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 p -92.39 -171.04 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.09 -0.959 . . . . 1.35 111.699 -173.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 22.3 ttmt -52.59 -29.85 27.98 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.553 -0.294 . . . . 1.32 111.573 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -47.01 91.63 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.229 -0.51 . . . . 0.4 113.193 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -63.73 -44.09 94.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.362 0.601 . . . . 2.44 110.044 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 27.2 tp -60.23 -51.66 68.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.868 -1.06 . . . . 0.52 109.617 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 80.8 tttt -53.93 -48.65 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.342 -0.844 . . . . 1.87 111.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.72 -56.98 12.62 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.38 0.425 . . . . 2.46 110.232 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.8 tt -53.56 -50.48 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.185 -0.461 . . . . 0.45 110.546 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 97.0 mt -59.48 -52.05 67.25 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.887 0.699 . . . . 0.45 112.887 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 34' ' ' LYS . 9.6 t -64.14 -30.9 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.504 0.193 . . . . 1.23 111.498 -173.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.4 -30.96 12.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 113.117 0.784 . . . . 1.61 113.117 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 57.1 mm-40 -95.65 -40.43 9.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.109 0.481 . . . . 1.67 111.533 -174.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' B' ' 8' ' ' LEU . 8.0 mp -107.85 18.19 21.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 1.42 110.842 -172.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -50.64 -36.29 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.515 -0.766 . . . . 0.78 112.527 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -109.17 20.24 18.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.721 0.267 . . . . 2.16 111.721 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.414 HG21 ' CD1' ' B' ' 8' ' ' LEU . 17.6 m -116.91 -64.55 1.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.279 0.561 . . . . 0.66 110.964 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.602 ' HA ' ' HB1' ' A' ' 84' ' ' ALA . 41.2 mt -80.75 138.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.782 -0.645 . . . . 0.6 110.456 -176.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.16 121.18 8.85 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.119 -0.491 . . . . 1.61 109.923 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.6 m-20 45.09 44.48 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.53 -0.759 . . . . 1.48 111.844 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -59.8 -6.92 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.842 0.829 . . . . 0.55 111.21 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.76 -9.55 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.357 -0.838 . . . . 1.11 109.949 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' O ' HG13 ' A' ' 54' ' ' ILE . 2.3 m-20 -89.88 128.47 36.2 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.292 -0.867 . . . . 1.58 110.889 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.595 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 23.8 tptm -63.05 -28.49 70.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.12 -0.946 . . . . 0.92 110.23 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -69.21 -34.41 74.82 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.245 -0.65 . . . . 0.67 109.245 177.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 38.3 t -73.61 -48.9 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.857 -1.065 . . . . 0.6 109.321 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.437 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 25.4 mt -59.13 -37.04 65.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.977 -1.011 . . . . 0.42 111.331 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.44 -43.08 82.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.888 -0.597 . . . . 1.53 109.74 178.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 40.0 mm-40 -53.39 -48.85 68.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.191 -0.913 . . . . 1.77 110.735 174.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.612 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.6 mt -68.05 -53.98 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.965 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -51.34 -46.37 62.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.296 -0.865 . . . . 1.68 110.904 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -68.6 -24.82 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 1.92 111.148 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.02 -21.87 75.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.859 -0.686 . . . . 0.53 112.353 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.648 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -96.3 -44.73 7.12 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.759 -0.46 . . . . 0.58 109.759 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 34.6 t70 -70.25 71.18 0.42 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 124.032 0.832 . . . . 1.4 110.3 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 -21.85 41.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.124 -0.944 . . . . 1.3 110.055 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -83.9 -13.99 52.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 2.8 110.604 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 91.6 mt-30 65.13 40.0 5.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.936 -1.029 . . . . 2.72 111.87 173.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.13 -3.19 26.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.992 0.425 . . . . 2.13 110.12 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 62.78 30.49 16.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.329 -0.85 . . . . 2.02 109.719 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.59 118.58 12.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.203 -0.908 . . . . 2.16 109.666 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.74 106.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.893 0.377 . . . . 1.81 110.825 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.64 166.13 23.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 2.02 109.722 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -56.37 -40.11 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 2.17 110.595 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.563 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 37.4 tt0 -75.47 -32.06 60.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.363 0.602 . . . . 1.66 111.074 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.5 mt-10 -71.68 -26.73 62.64 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.422 0.63 . . . . 1.99 109.635 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 65.1 t80 -76.31 -21.49 56.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.464 -0.569 . . . . 1.92 109.464 171.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.563 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -62.86 -44.13 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.71 -0.848 . . . . 0.67 108.71 174.69 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.616 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.36 -30.33 68.31 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.599 -0.728 . . . . 0.74 110.787 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.6 tm? -56.42 -47.58 78.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.428 . . . . 1.15 109.856 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.612 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.4 t -66.48 -31.58 54.23 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 115.944 -0.571 . . . . 0.33 110.222 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' B' ' 75' ' ' ILE . . . -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.516 0.674 . . . . 0.43 109.805 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.72 -43.66 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.879 -1.055 . . . . 0.4 110.241 174.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.695 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.52 -33.64 60.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.961 . . . . 0.28 112.824 -172.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 99.4 mt -67.55 -41.66 83.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.176 0.513 . . . . 0.33 110.291 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.5 ' HG3' HD13 ' B' ' 75' ' ' ILE . 5.6 mttt -74.99 -23.94 58.35 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.852 -0.739 . . . . 1.67 110.57 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -67.61 -23.61 65.39 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 0.48 110.228 170.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.81 -51.69 7.43 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.57 111.355 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 88' ' ' HIS . 41.2 t-80 -82.35 -55.42 4.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.298 0.571 . . . . 2.68 110.957 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.515 ' C ' ' H ' ' A' ' 89' ' ' THR . 7.3 t80 -78.69 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.958 -1.019 . . . . 1.8 109.918 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.6 p-80 -52.0 18.57 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.223 1.564 . . . . 3.26 115.223 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.515 ' H ' ' C ' ' A' ' 87' ' ' TYR . 4.3 t -77.24 -35.7 55.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.438 -1.319 . . . . 1.26 107.438 175.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 89' ' ' THR . 11.0 p80 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 113.066 -1.879 . . . . 3.47 106.585 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 113.911 1.078 . . . . 3.1 113.911 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -52.24 -34.66 46.97 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.051 0.76 . . . . 2.51 113.051 -169.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -77.97 -35.07 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.242 -0.286 . . . . 2.16 111.704 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.695 HD13 ' HB1' ' A' ' 81' ' ' ALA . 61.7 mt -83.74 -54.79 4.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 0.34 109.95 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.19 -27.81 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.365 -0.834 . . . . 2.41 110.376 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.432 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.92 -51.93 41.74 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.67 -0.696 . . . . 0.44 111.77 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.536 HG21 HG21 ' B' ' 78' ' ' VAL . 15.0 mm -55.01 -48.1 76.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.025 0.441 . . . . 1.16 110.493 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.13 -43.86 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.558 -0.746 . . . . 0.57 111.498 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -65.75 -41.03 92.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 1.42 110.556 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.437 HG22 HD11 ' B' ' 36' ' ' LEU . 22.3 mm -61.09 -44.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.626 . . . . 2.06 110.782 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 44.4 t80 -61.43 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 2.58 110.15 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.46 -22.13 66.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.99 -0.55 . . . . 2.23 111.083 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.282 -0.417 . . . . 2.77 111.631 -177.538 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.6 tp . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 121.873 0.844 . . . . 2.91 108.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -92.53 -171.06 2.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 1.35 111.725 -173.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 22.3 ttmt -52.61 -29.76 27.66 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 122.374 0.269 . . . . 1.32 111.695 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.73 -47.07 91.13 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.374 -0.441 . . . . 0.4 113.21 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -63.6 -44.25 94.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.332 0.587 . . . . 2.43 110.144 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.644 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.3 tp -60.21 -51.47 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.931 -1.031 . . . . 0.52 109.639 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.445 ' O ' HG22 ' B' ' 38' ' ' THR . 80.9 tttt -54.11 -48.57 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 1.87 111.413 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.74 -56.87 13.61 Favored 'General case' 0 CA--C 1.519 -0.216 0 O-C-N 123.451 0.469 . . . . 2.45 110.267 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.437 HD11 HG22 ' B' ' 14' ' ' ILE . 9.8 tt -53.73 -50.48 65.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.128 -0.487 . . . . 0.45 110.502 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.4 mt -59.73 -51.82 68.15 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.843 0.683 . . . . 0.45 112.843 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.445 HG22 ' O ' ' B' ' 34' ' ' LYS . 9.6 t -64.04 -31.06 72.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.507 0.194 . . . . 1.23 111.514 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -31.19 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.164 0.802 . . . . 1.62 113.164 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 56.7 mm-40 -95.67 -40.29 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.214 0.53 . . . . 1.67 111.619 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 8' ' ' LEU . 7.9 mp -107.58 18.08 21.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.428 -0.806 . . . . 1.42 110.978 -172.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -50.76 -35.78 33.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.439 -0.8 . . . . 0.78 112.573 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -109.52 19.73 18.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.679 -0.237 . . . . 2.16 111.614 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.403 HG21 ' CD1' ' A' ' 8' ' ' LEU . 17.9 m -116.5 -65.11 1.22 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.112 0.482 . . . . 0.66 110.835 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.598 ' HA ' ' HB1' ' B' ' 84' ' ' ALA . 41.4 mt -80.13 139.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.878 -0.601 . . . . 0.6 110.466 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.456 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.36 121.1 8.79 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.095 -0.502 . . . . 1.61 109.876 -177.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.456 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 45.21 44.47 8.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.614 -0.721 . . . . 1.48 111.72 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -59.95 -6.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.859 0.838 . . . . 0.56 111.218 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.0 -9.13 57.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.305 -0.861 . . . . 1.11 110.055 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.419 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.4 m-20 -90.26 128.84 36.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.328 -0.851 . . . . 1.59 110.836 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.591 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 23.7 tptm -63.35 -28.4 69.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.16 -0.927 . . . . 0.92 110.211 176.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -69.27 -34.47 74.81 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.295 -0.631 . . . . 0.67 109.295 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.452 ' O ' HG13 ' B' ' 57' ' ' ILE . 38.1 t -73.47 -48.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.807 -1.088 . . . . 0.6 109.355 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 25.4 mt -58.98 -37.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.939 -1.028 . . . . 0.42 111.286 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.2 OUTLIER -67.59 -43.15 81.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.924 -0.58 . . . . 1.53 109.66 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 40.3 mm-40 -53.28 -48.84 67.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.168 -0.923 . . . . 1.77 110.703 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.1 mt -68.19 -54.05 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.958 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.22 -46.39 62.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.315 -0.857 . . . . 1.67 110.894 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -68.88 -24.12 64.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.725 -0.67 . . . . 1.91 111.244 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.46 -21.92 74.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.53 112.278 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.652 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.4 OUTLIER -96.36 -44.56 7.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.86 -0.422 . . . . 0.59 109.86 178.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 34.3 t70 -70.15 71.15 0.4 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.262 -0.881 . . . . 1.4 110.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.47 -22.37 41.13 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.29 -0.868 . . . . 1.31 110.012 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -83.3 -14.54 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.13 -0.941 . . . . 2.8 110.55 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 92.6 mt-30 65.71 40.17 4.5 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 114.823 -1.08 . . . . 2.72 111.885 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.22 -3.23 26.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 2.14 110.198 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 63.12 29.89 16.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.211 -0.904 . . . . 2.01 109.791 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -139.18 118.52 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.234 -0.894 . . . . 2.16 109.656 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.409 HG21 HD22 ' B' ' 33' ' ' LEU . 21.2 t -70.61 106.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.977 0.418 . . . . 1.81 110.842 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.83 166.14 23.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 2.02 109.678 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -56.35 -40.01 73.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.789 0.328 . . . . 2.18 110.624 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.562 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 37.0 tt0 -75.56 -32.05 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.308 0.575 . . . . 1.67 111.059 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.652 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.6 mt-10 -71.59 -26.81 62.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.436 0.636 . . . . 1.99 109.613 174.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 64.8 t80 -76.35 -21.38 56.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.552 -0.536 . . . . 1.92 109.552 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.562 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -62.66 -44.25 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.724 -0.843 . . . . 0.67 108.724 174.712 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.628 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.8 p -69.49 -30.25 68.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.538 -0.756 . . . . 0.74 110.846 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.6 tm? -56.32 -47.72 78.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.693 -0.484 . . . . 1.14 109.693 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.608 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 26.7 t -66.45 -31.5 53.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-N 115.946 -0.57 . . . . 0.33 110.229 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 75' ' ' ILE . . . -59.89 -49.43 77.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.558 0.694 . . . . 0.43 109.714 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.628 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.77 -43.65 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.968 -1.015 . . . . 0.4 110.198 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.57 -33.73 60.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.081 -0.963 . . . . 0.28 112.763 -172.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 99.4 mt -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.059 0.457 . . . . 0.33 110.299 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.507 ' HG3' HD13 ' A' ' 75' ' ' ILE . 5.6 mttt -75.1 -23.78 58.01 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.901 -0.719 . . . . 1.67 110.64 175.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.598 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -67.75 -23.63 65.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 0.48 110.123 170.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.75 -51.63 7.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 0.57 111.357 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.478 ' C ' ' H ' ' B' ' 88' ' ' HIS . 41.1 t-80 -82.59 -55.2 4.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.437 0.637 . . . . 2.68 111.029 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.495 ' C ' ' H ' ' B' ' 89' ' ' THR . 7.2 t80 -78.68 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.008 -0.996 . . . . 1.8 109.942 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.6 p-80 -52.1 18.67 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.03 1.493 . . . . 3.27 115.03 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.495 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -77.27 -35.96 54.73 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 107.327 -1.36 . . . . 1.27 107.327 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' B' ' 89' ' ' THR . 11.0 p80 . . . . . 0 N--CA 1.451 -0.412 0 CA-C-N 113.088 -1.869 . . . . 3.47 106.668 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.224 -0.252 0 N-CA-C 110.257 -0.275 . . . . 3.1 110.257 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.556 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 2.5 tm-20 -55.79 -35.68 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 2.51 111.442 -172.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.454 ' O ' HG13 ' A' ' 11' ' ' ILE . 15.4 m170 -70.37 -58.2 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.698 -0.401 . . . . 2.16 111.064 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.657 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 82.9 mt -70.47 -60.92 1.98 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.378 0.609 . . . . 0.34 111.37 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -69.93 -23.2 63.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.577 -0.738 . . . . 2.41 109.725 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.604 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.2 -43.37 95.52 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.467 -0.873 . . . . 0.44 111.877 174.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 7' ' ' HIS . 84.0 mt -65.36 -41.29 90.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.178 0.513 . . . . 1.16 110.08 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.18 -42.27 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 0.57 110.357 175.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.81 -37.22 85.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.514 -0.767 . . . . 1.42 111.007 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.6 mm -61.34 -47.66 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.06 110.474 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.478 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.1 t80 -68.43 -36.14 78.63 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.67 -0.493 . . . . 2.57 109.67 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.36 -24.38 67.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.487 -0.779 . . . . 2.23 111.114 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 2.77 110.953 -179.617 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 45.4 mt . . . . . 0 C--O 1.224 -0.278 0 CA-C-O 121.014 0.435 . . . . 2.91 110.789 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -103.22 -177.92 3.51 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.475 -0.49 . . . . 1.35 111.774 -173.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.3 ttmp? -61.24 -34.05 74.5 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 111.725 0.268 . . . . 1.32 111.725 -174.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -44.48 94.71 Favored Glycine 0 C--O 1.235 0.209 0 C-N-CA 120.858 -0.687 . . . . 0.4 113.013 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.22 -41.43 73.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.111 0.481 . . . . 2.44 110.448 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.9 tp -62.75 -43.36 98.99 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.531 -0.758 . . . . 0.52 109.904 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.8 tttt -56.99 -49.34 76.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 1.87 110.935 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -55.59 -54.39 44.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.906 -0.588 . . . . 2.46 109.662 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -52.41 -57.28 10.32 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.964 -0.562 . . . . 0.45 110.308 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.6 mt -59.22 -46.6 88.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.74 0.645 . . . . 0.45 112.74 -173.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 49' ' ' LYS . 25.0 p -64.94 -35.25 80.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.887 0.328 . . . . 1.23 111.887 -174.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -96.9 -30.32 13.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.472 0.545 . . . . 1.61 112.472 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -90.91 -44.26 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.882 0.372 . . . . 1.67 111.024 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD22 HD11 ' B' ' 8' ' ' LEU . 19.9 mt -114.79 25.16 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.045 -0.525 . . . . 1.42 110.356 -171.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.83 -40.99 31.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.088 -0.96 . . . . 0.78 113.016 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.3 11.64 37.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.832 0.308 . . . . 2.16 111.832 -172.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.401 HG21 ' CD1' ' B' ' 8' ' ' LEU . 19.1 m -108.86 -63.29 1.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.43 0.634 . . . . 0.66 110.62 -177.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 51.7 mt -80.11 131.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.236 -0.893 . . . . 0.6 109.493 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.75 125.57 21.82 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.571 -0.286 . . . . 1.61 110.425 -176.778 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 18.2 m120 46.22 42.6 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.65 . . . . 1.48 111.696 176.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -64.33 -3.75 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.981 0.896 . . . . 0.55 110.699 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -84.32 -13.94 51.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.074 -0.966 . . . . 1.11 109.833 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.44 128.57 35.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.17 -0.923 . . . . 1.58 110.787 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.81 68.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.718 . . . . 0.92 110.055 179.015 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.86 -37.96 85.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.944 -0.762 . . . . 0.67 108.944 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.471 ' O ' HD13 ' A' ' 57' ' ' ILE . 30.9 t -71.12 -48.99 51.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.684 -1.144 . . . . 0.6 109.457 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.1 mt -58.93 -37.46 67.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.32 -0.855 . . . . 0.42 111.888 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -65.28 -45.08 85.87 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.826 -0.805 . . . . 1.53 108.826 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 39.0 mm-40 -53.95 -49.67 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.84 -1.073 . . . . 1.77 111.282 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -64.41 -52.42 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.682 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 94.1 t80 -57.04 -45.19 83.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.386 -0.824 . . . . 1.68 110.453 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.22 -24.66 66.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.7 -0.682 . . . . 1.92 110.842 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.97 73.06 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.71 -0.757 . . . . 0.53 111.925 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.571 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -95.79 -43.99 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.089 -0.337 . . . . 0.58 110.089 179.234 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 35.9 t70 -72.78 72.61 1.07 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.258 -0.883 . . . . 1.4 110.058 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.71 -31.45 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.224 -0.898 . . . . 1.3 111.349 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -78.09 -9.46 59.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 2.8 110.799 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 52.0 mt-30 63.63 43.5 5.69 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.006 -0.997 . . . . 2.72 111.799 173.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.56 1.8 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.435 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 29.9 mt-10 58.76 40.48 23.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.331 -0.849 . . . . 2.02 110.583 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -135.47 117.22 15.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.416 -0.811 . . . . 2.16 109.675 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 4.4 p -93.1 107.21 18.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.694 0.759 . . . . 1.81 110.404 176.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -73.63 170.74 14.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 2.02 109.973 177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -59.83 -33.43 71.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.236 0.541 . . . . 2.17 109.839 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 27.0 tt0 -65.97 -40.22 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.653 -0.703 . . . . 1.66 111.0 174.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 34.0 mt-10 -78.0 -29.18 49.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.368 0.604 . . . . 1.99 110.072 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 78' ' ' VAL . 80.5 t80 -71.57 -21.05 61.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.805 -0.634 . . . . 1.92 109.349 170.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.666 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.9 OUTLIER -69.66 -42.82 80.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.568 -0.742 . . . . 0.67 109.559 176.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.606 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.3 p -66.3 -30.48 70.91 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.007 -0.542 . . . . 0.74 109.986 172.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.2 tm? -58.39 -45.95 87.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.839 -0.43 . . . . 1.15 109.839 175.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 74' ' ' PHE . 21.2 t -67.49 -26.66 36.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 116.382 -0.372 . . . . 0.33 110.043 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -64.55 -48.29 75.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 0.43 109.894 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.606 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.55 -40.57 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.425 -0.807 . . . . 0.4 110.126 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.655 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.26 -38.4 60.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.548 -0.751 . . . . 0.28 112.268 -174.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 90.4 mt -64.45 -35.96 82.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.147 -0.686 . . . . 0.33 109.147 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -66.21 -39.7 89.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.015 -0.993 . . . . 1.67 110.111 174.768 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.49 66.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.039 -0.528 . . . . 0.48 111.318 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.52 -54.16 5.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.454 -0.339 . . . . 0.57 111.531 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -85.28 -49.4 8.21 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.217 0.532 . . . . 2.68 111.156 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.53 ' C ' ' H ' ' A' ' 89' ' ' THR . 25.4 t80 -85.2 23.6 1.25 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.37 -0.832 . . . . 1.8 109.993 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -46.46 20.42 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.223 1.935 . . . . 3.26 116.223 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 87' ' ' TYR . 10.3 t -83.92 24.07 0.95 Allowed 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.437 0.695 . . . . 1.26 110.551 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 89' ' ' THR . 58.5 m-70 . . . . . 0 CA--C 1.504 -0.817 0 C-N-CA 125.134 1.374 . . . . 3.47 109.19 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.224 -0.261 0 N-CA-C 110.305 -0.257 . . . . 3.1 110.305 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.563 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 2.6 tm-20 -55.73 -35.64 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 2.51 111.437 -172.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.447 ' O ' HG13 ' B' ' 11' ' ' ILE . 15.6 m170 -70.42 -58.01 4.18 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.993 -0.442 . . . . 2.16 111.154 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.655 HD13 ' HB1' ' A' ' 81' ' ' ALA . 82.8 mt -70.68 -60.96 1.95 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.221 0.534 . . . . 0.34 111.31 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -69.72 -23.35 63.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.524 -0.762 . . . . 2.41 109.701 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.617 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.1 -43.47 95.6 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.436 -0.888 . . . . 0.44 111.837 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.8 mt -65.46 -41.33 90.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.097 0.475 . . . . 1.16 109.977 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.14 -42.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.552 -0.749 . . . . 0.57 110.439 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.72 -37.07 85.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.553 -0.749 . . . . 1.42 110.992 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -61.51 -47.81 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.373 -0.376 . . . . 2.06 110.479 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.485 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.2 t80 -68.31 -36.11 78.82 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.142 0.496 . . . . 2.58 109.678 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.39 -24.19 67.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.525 -0.761 . . . . 2.23 111.093 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 2.77 111.013 -179.414 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 45.4 mt . . . . . 0 C--O 1.223 -0.316 0 CA-C-O 120.91 0.386 . . . . 2.91 110.726 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.474 -0.49 . . . . 1.35 111.894 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.541 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.3 ttmp? -60.85 -34.17 74.18 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.658 0.244 . . . . 1.32 111.658 -174.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.98 -44.37 94.57 Favored Glycine 0 C--N 1.328 0.107 0 C-N-CA 120.819 -0.705 . . . . 0.4 113.008 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.6 -41.25 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.139 0.495 . . . . 2.43 110.359 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 26.9 tp -62.64 -43.35 99.03 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 0.52 110.05 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.8 tttt -57.08 -49.2 76.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.797 -0.638 . . . . 1.87 110.976 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -55.63 -54.27 46.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.022 -0.535 . . . . 2.45 109.742 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.54 -57.18 10.77 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 116.001 -0.545 . . . . 0.45 110.389 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.7 mt -59.16 -46.79 87.45 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 112.7 0.63 . . . . 0.45 112.7 -173.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.485 HG22 ' HA ' ' B' ' 49' ' ' LYS . 26.2 p -64.75 -35.6 81.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.781 0.289 . . . . 1.23 111.781 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -96.57 -30.51 13.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 1.62 112.492 -176.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -90.8 -44.41 9.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 1.67 110.998 -173.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.563 HD22 HD11 ' A' ' 8' ' ' LEU . 19.3 mt -114.65 25.24 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 1.42 110.359 -171.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.542 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.8 -41.15 31.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.029 -0.987 . . . . 0.78 112.952 -177.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -102.18 11.46 38.23 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.978 0.362 . . . . 2.16 111.978 -172.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.6 m -108.64 -63.35 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.423 0.63 . . . . 0.66 110.479 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -80.26 131.22 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.28 -0.873 . . . . 0.6 109.517 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.465 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -55.39 125.57 21.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 123.313 0.383 . . . . 1.61 110.403 -176.618 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 17.2 m120 46.34 42.53 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.48 111.723 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -64.24 -3.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.91 0.862 . . . . 0.56 110.592 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.3 mmmm -84.28 -14.27 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.224 -0.898 . . . . 1.11 109.781 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.11 128.42 35.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.222 -0.899 . . . . 1.59 110.722 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.18 -26.92 68.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.606 -0.725 . . . . 0.92 110.045 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.76 -37.89 85.51 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.984 -0.747 . . . . 0.67 108.984 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 57' ' ' ILE . 30.4 t -71.39 -48.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.54 -1.209 . . . . 0.6 109.337 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.446 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.2 mt -58.96 -37.53 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.41 -0.814 . . . . 0.42 111.866 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.9 OUTLIER -65.43 -44.99 85.64 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.8 -0.815 . . . . 1.53 108.8 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 33.2 mm-40 -53.73 -49.86 67.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.892 -1.049 . . . . 1.77 111.355 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.36 -52.35 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.742 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.541 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 94.1 t80 -57.16 -45.23 83.82 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.298 -0.864 . . . . 1.67 110.311 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.13 -24.6 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.717 -0.674 . . . . 1.91 110.943 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.4 -26.02 72.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.723 -0.751 . . . . 0.53 111.871 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.556 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.4 OUTLIER -95.73 -44.06 7.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.083 -0.34 . . . . 0.59 110.083 179.386 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.466 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 35.8 t70 -72.96 72.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.366 -0.834 . . . . 1.4 110.084 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.97 62.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.848 . . . . 1.31 111.35 -176.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.78 -9.35 58.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.059 -0.519 . . . . 2.8 110.843 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLN . . . . . 0.466 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 52.0 mt-30 63.38 43.89 5.81 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.116 -0.947 . . . . 2.72 111.812 173.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -107.7 1.48 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 2.14 110.492 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.414 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 29.5 mt-10 59.06 40.25 22.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.356 -0.838 . . . . 2.01 110.502 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -135.28 117.22 15.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.384 -0.825 . . . . 2.16 109.732 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 4.4 p -93.09 107.21 18.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.67 0.748 . . . . 1.81 110.435 176.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.46 170.87 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 2.02 109.833 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -60.09 -33.47 72.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.1 0.476 . . . . 2.18 109.763 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.565 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 26.6 tt0 -65.81 -40.36 91.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.76 -0.654 . . . . 1.67 110.942 174.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 33.9 mt-10 -77.89 -29.24 50.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.343 0.592 . . . . 1.99 110.013 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.529 ' O ' HG23 ' B' ' 78' ' ' VAL . 80.8 t80 -71.42 -21.22 62.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.427 0.632 . . . . 1.92 109.302 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.646 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.9 OUTLIER -69.58 -42.95 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.529 -0.759 . . . . 0.67 109.527 176.799 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.614 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.6 p -66.06 -30.38 70.9 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.966 -0.561 . . . . 0.74 110.035 172.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.556 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.2 tm? -58.69 -45.81 88.65 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.777 -0.453 . . . . 1.14 109.777 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 74' ' ' PHE . 21.3 t -67.52 -26.74 36.34 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.999 -0.371 . . . . 0.33 109.999 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -64.52 -48.2 76.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.154 0.502 . . . . 0.43 109.985 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.614 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.47 -40.61 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.366 -0.834 . . . . 0.4 110.136 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.657 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -75.22 -38.48 60.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.555 -0.748 . . . . 0.28 112.28 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 90.8 mt -64.32 -35.93 82.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.618 0.723 . . . . 0.33 109.116 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.666 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -66.27 -39.77 89.65 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.023 -0.99 . . . . 1.67 110.076 174.822 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.56 66.84 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.142 -0.481 . . . . 0.48 111.242 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.62 -53.96 6.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 0.57 111.589 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -85.3 -49.79 7.88 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.454 0.645 . . . . 2.68 111.12 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.523 ' C ' ' H ' ' B' ' 89' ' ' THR . 25.1 t80 -84.8 23.37 1.19 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.359 -0.837 . . . . 1.8 109.969 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -46.32 20.73 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 116.237 1.94 . . . . 3.27 116.237 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.523 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.2 t -84.32 24.04 1.02 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.348 0.659 . . . . 1.27 110.527 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' B' ' 89' ' ' THR . 58.9 m-70 . . . . . 0 CA--C 1.503 -0.845 0 C-N-CA 124.988 1.315 . . . . 3.47 109.38 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.457 ' HG2' ' OG1' ' B' ' 44' ' ' THR . 20.7 mt-10 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 111.393 0.146 . . . . 3.1 111.393 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.99 -47.73 44.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.002 0.43 . . . . 2.51 110.638 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -48.25 10.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.487 -0.324 . . . . 2.16 111.636 -175.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.781 HD13 ' HB1' ' B' ' 81' ' ' ALA . 68.8 mt -63.32 -61.01 2.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.247 0.546 . . . . 0.34 111.259 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.9 -27.54 68.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.51 -0.768 . . . . 2.41 109.572 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -45.42 93.4 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.704 -0.76 . . . . 0.44 112.348 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.68 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.983 0.42 . . . . 1.16 110.095 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.94 -43.74 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.609 -0.723 . . . . 0.57 111.005 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.31 -36.53 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.883 -0.599 . . . . 1.42 111.035 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.64 -40.72 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 2.06 110.667 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 17.8 m-85 -63.48 -43.27 97.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.236 0.541 . . . . 2.57 109.927 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.16 -21.65 66.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.36 -0.836 . . . . 2.23 110.896 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 2.77 111.571 -177.466 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.431 0.634 . . . . 2.91 109.587 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 p -103.03 -171.06 1.88 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.547 -0.751 . . . . 1.35 111.029 -176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.625 ' HB2' ' OE2' ' A' ' 67' ' ' GLU . 13.5 ttmm -53.91 -29.67 42.96 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 111.817 0.303 . . . . 1.32 111.817 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.09 89.38 Favored Glycine 0 C--O 1.235 0.168 0 C-N-CA 121.203 -0.522 . . . . 0.4 113.222 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.93 -44.07 73.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.255 0.55 . . . . 2.44 110.189 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.4 tp -63.55 -50.46 69.42 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.168 -0.924 . . . . 0.52 109.663 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HB2' HG21 ' A' ' 54' ' ' ILE . 41.5 tttp -53.35 -47.65 69.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.319 -0.855 . . . . 1.87 111.618 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 63.9 tt0 -54.73 -59.62 4.46 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.4 -0.364 . . . . 2.46 110.247 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.571 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 10.4 tt -52.17 -51.8 55.88 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.92 -0.582 . . . . 0.45 110.683 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 71.6 mt -58.42 -52.49 65.41 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.04 0.756 . . . . 0.45 113.04 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 49' ' ' LYS . 19.7 p -63.07 -38.73 92.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.418 -0.356 . . . . 1.23 111.816 -172.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.3 ptmt -96.71 -31.29 12.75 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.296 0.85 . . . . 1.61 113.296 -174.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.571 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 11.5 tp10 -98.0 -39.79 8.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.638 0.256 . . . . 1.67 111.425 -168.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.508 HD22 HD11 ' B' ' 8' ' ' LEU . 38.0 mt -111.76 27.99 9.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.281 0.563 . . . . 1.42 109.639 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -55.28 -26.33 39.59 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 114.805 -1.089 . . . . 0.78 113.341 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -111.67 17.71 19.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.536 0.569 . . . . 2.16 112.536 -172.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.473 ' OG1' ' HG2' ' B' ' 5' ' ' GLU . 28.4 m -119.13 -67.49 0.98 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.447 0.641 . . . . 0.66 110.841 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 27.2 mt -73.64 135.08 28.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.987 -1.006 . . . . 0.6 110.442 -174.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 2.3 pptp? -56.13 126.61 26.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 123.248 0.342 . . . . 1.61 110.798 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.45 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 9.5 m120 46.22 40.42 7.45 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 123.847 0.717 . . . . 1.48 111.552 175.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 37' ' ' LEU . 9.6 tp -61.26 -8.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.038 0.923 . . . . 0.55 110.906 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.3 OUTLIER -82.42 -17.41 45.49 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.804 -1.089 . . . . 1.11 110.183 179.253 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.15 128.65 34.74 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.567 -0.742 . . . . 1.58 111.0 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.4 tmtp? -62.28 -30.74 71.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.818 -1.083 . . . . 0.92 109.855 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.32 -40.25 89.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.19 -0.67 . . . . 0.67 109.19 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 57' ' ' ILE . 30.7 t -66.75 -47.06 84.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.633 -1.167 . . . . 0.6 109.332 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.418 HG21 ' HB2' ' A' ' 34' ' ' LYS . 68.2 mt -60.09 -41.98 88.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.783 -1.098 . . . . 0.42 111.749 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 59' ' ' GLN . 6.7 t0 -64.37 -48.28 76.08 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.75 -0.833 . . . . 1.53 108.75 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 30.6 mm-40 -54.5 -41.2 69.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.818 -1.083 . . . . 1.77 111.375 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 53' ' ' VAL . 78.9 mt -70.03 -49.63 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.588 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 30' ' ' LYS . 39.7 t80 -56.5 -43.4 79.67 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.873 -0.603 . . . . 1.68 109.881 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 80.3 mt-30 -63.58 -29.04 70.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.841 -0.618 . . . . 1.92 110.57 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.15 -25.14 75.67 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.84 -0.695 . . . . 0.53 111.571 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.31 7.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.983 -0.747 . . . . 0.58 108.983 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.73 67.07 7.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.913 -1.039 . . . . 1.4 109.649 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.61 -21.11 63.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.198 -0.91 . . . . 1.3 111.132 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -89.35 -3.2 58.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.667 -0.697 . . . . 2.8 111.148 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 58.52 40.39 23.91 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.414 -0.812 . . . . 2.72 112.007 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -98.46 -6.98 29.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.29 0.567 . . . . 2.13 110.142 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.625 ' OE2' ' HB2' ' A' ' 30' ' ' LYS . 21.3 tp10 61.61 46.86 6.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.752 -1.113 . . . . 2.02 110.453 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -147.88 118.92 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 2.16 110.044 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.0 p -101.05 114.88 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.404 0.621 . . . . 1.81 111.828 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.73 170.98 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.547 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -59.64 -29.66 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.754 0.311 . . . . 2.17 111.019 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.617 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.9 tt0 -68.1 -38.22 82.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.499 0.666 . . . . 1.66 110.692 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 28.2 mt-10 -75.9 -32.17 59.52 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.099 -0.501 . . . . 1.99 110.155 177.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.539 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 21.8 m-85 -62.85 -27.7 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.288 0.566 . . . . 1.92 109.709 168.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.617 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -64.92 -41.43 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.529 -0.759 . . . . 0.67 109.503 176.808 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.575 ' O ' HD13 ' A' ' 80' ' ' ILE . 64.3 m -61.56 -35.62 78.3 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.314 -0.857 . . . . 0.74 110.201 174.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.1 tm? -58.08 -45.36 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.093 -0.336 . . . . 1.15 110.093 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.562 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.2 t -63.64 -33.28 60.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 109.593 -0.521 . . . . 0.33 109.593 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.48 -50.44 73.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.957 -0.565 . . . . 0.43 110.128 176.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.21 -44.11 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 0.4 110.235 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.813 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -68.86 -43.93 74.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.93 . . . . 0.28 112.344 -175.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -67.4 -33.0 74.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.164 0.507 . . . . 0.33 110.188 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -64.28 -49.64 71.01 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.35 -0.611 . . . . 1.67 109.35 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.39 -23.48 64.37 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.932 0.345 . . . . 0.48 111.932 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.04 -60.56 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.844 0.313 . . . . 0.57 111.844 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -80.2 -38.73 30.58 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.766 0.793 . . . . 2.68 110.502 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.553 ' C ' ' H ' ' A' ' 89' ' ' THR . 36.8 t80 -89.96 23.4 2.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.711 -1.131 . . . . 1.8 109.408 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -46.98 19.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 115.856 1.799 . . . . 3.26 115.856 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.553 ' H ' ' C ' ' A' ' 87' ' ' TYR . 12.1 t -86.42 15.2 5.64 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.858 -0.793 . . . . 1.26 108.858 174.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 89' ' ' THR . 14.4 m-70 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-N 114.223 -1.353 . . . . 3.47 109.705 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.473 ' HG2' ' OG1' ' A' ' 44' ' ' THR . 20.3 mt-10 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 111.355 0.132 . . . . 3.1 111.355 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -49.09 -47.88 44.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 2.51 110.608 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.64 -48.09 11.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.465 -0.334 . . . . 2.16 111.798 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.813 HD13 ' HB1' ' A' ' 81' ' ' ALA . 68.6 mt -63.34 -60.99 2.65 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.306 0.574 . . . . 0.34 111.325 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.78 -27.97 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.527 -0.761 . . . . 2.41 109.536 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.1 -45.39 93.94 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.772 -0.728 . . . . 0.44 112.274 174.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.89 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.006 0.432 . . . . 1.16 110.053 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.88 -43.78 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.702 -0.681 . . . . 0.57 110.948 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.27 -36.87 84.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 1.42 110.917 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.37 -40.74 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 2.06 110.698 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' B' ' 74' ' ' PHE . 17.9 m-85 -63.51 -43.22 97.84 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.221 0.534 . . . . 2.58 109.877 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -65.28 -21.68 66.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.4 -0.818 . . . . 2.23 110.806 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 2.77 111.527 -177.389 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.411 0.624 . . . . 2.91 109.556 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -103.15 -171.1 1.89 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.496 -0.775 . . . . 1.35 111.063 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.627 ' HB2' ' OE2' ' B' ' 67' ' ' GLU . 13.4 ttmm -53.66 -29.99 41.15 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.882 0.327 . . . . 1.32 111.882 -177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -40.93 88.73 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.2 -0.524 . . . . 0.4 113.197 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.74 -44.25 74.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.18 0.515 . . . . 2.43 110.173 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 32.4 tp -63.49 -50.5 69.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.172 -0.922 . . . . 0.52 109.735 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.407 ' HB2' HG21 ' B' ' 54' ' ' ILE . 41.5 tttp -53.29 -47.9 68.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.306 -0.861 . . . . 1.87 111.592 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 64.1 tt0 -54.61 -59.33 4.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.364 -0.38 . . . . 2.45 110.272 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.578 ' O ' ' HB3' ' B' ' 40' ' ' GLU . 10.4 tt -52.38 -51.7 57.56 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.972 -0.558 . . . . 0.45 110.624 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 72.1 mt -58.57 -52.56 65.14 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.883 0.697 . . . . 0.45 112.883 -174.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.7 p -62.89 -38.75 92.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.401 -0.363 . . . . 1.23 111.97 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.2 ptmt -96.55 -31.74 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.162 0.801 . . . . 1.62 113.162 -174.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' B' ' 36' ' ' LEU . 11.2 tp10 -97.57 -39.86 8.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.628 0.251 . . . . 1.67 111.461 -168.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 8' ' ' LEU . 38.6 mt -111.66 28.11 9.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.297 0.57 . . . . 1.42 109.542 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' B' ' 48' ' ' ILE . . . -54.87 -27.02 39.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.766 -1.106 . . . . 0.78 113.069 -176.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -111.33 17.48 20.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.611 0.597 . . . . 2.16 112.611 -171.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.457 ' OG1' ' HG2' ' A' ' 5' ' ' GLU . 28.5 m -118.97 -67.42 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.493 0.664 . . . . 0.66 110.954 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 27.1 mt -73.62 135.15 28.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.011 -0.995 . . . . 0.6 110.489 -175.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.457 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 2.3 pptp? -56.07 126.87 27.85 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.283 0.365 . . . . 1.61 110.78 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.457 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.5 m120 45.94 40.38 6.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 123.81 0.694 . . . . 1.48 111.672 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.6 tp -61.3 -8.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.932 0.872 . . . . 0.56 110.9 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -17.17 46.82 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.815 -1.084 . . . . 1.11 110.147 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.51 129.07 34.9 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.722 -0.672 . . . . 1.59 110.95 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.571 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.4 tmtp? -62.74 -30.68 71.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 0.92 109.716 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.43 -40.18 89.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.578 0.704 . . . . 0.67 109.313 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.492 ' O ' HG13 ' B' ' 57' ' ' ILE . 31.1 t -66.73 -47.25 83.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.551 -1.204 . . . . 0.6 109.249 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' B' ' 34' ' ' LYS . 69.0 mt -59.92 -42.08 88.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.725 -1.125 . . . . 0.42 111.758 178.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' B' ' 59' ' ' GLN . 7.4 t0 -64.31 -48.33 76.04 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.781 -0.822 . . . . 1.53 108.781 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 34.8 mm-40 -54.55 -40.97 69.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.832 -1.076 . . . . 1.77 111.358 177.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 53' ' ' VAL . 78.3 mt -70.14 -49.59 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.591 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' B' ' 30' ' ' LYS . 39.8 t80 -56.68 -43.23 80.24 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.886 -0.597 . . . . 1.67 109.854 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 80.2 mt-30 -63.79 -28.9 70.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.764 -0.653 . . . . 1.91 110.584 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.34 -25.07 75.8 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.882 -0.675 . . . . 0.53 111.624 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.23 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.019 -0.734 . . . . 0.59 109.019 177.688 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.7 67.07 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.885 -1.052 . . . . 1.4 109.595 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.6 63.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.14 -0.936 . . . . 1.31 111.072 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -88.73 -3.68 58.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 2.8 111.242 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 58.77 40.63 22.84 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.523 -0.762 . . . . 2.72 111.983 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -98.76 -6.67 28.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 2.14 110.288 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.627 ' OE2' ' HB2' ' B' ' 30' ' ' LYS . 21.4 tp10 61.53 46.74 7.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.807 -1.088 . . . . 2.01 110.399 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -148.03 118.7 7.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.431 -0.804 . . . . 2.16 110.147 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 114.81 41.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.486 0.66 . . . . 1.81 111.815 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.77 170.92 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 2.02 109.498 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.405 ' HA ' ' HB2' ' B' ' 74' ' ' PHE . 96.7 m-85 -59.6 -29.88 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.844 0.293 . . . . 2.18 110.926 176.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.605 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.9 tt0 -67.8 -38.24 83.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.413 0.625 . . . . 1.67 110.833 174.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 28.3 mt-10 -75.86 -32.06 59.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.068 -0.515 . . . . 1.99 110.12 177.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.547 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 21.7 m-85 -63.0 -27.85 69.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.589 -0.523 . . . . 1.92 109.589 168.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.605 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -64.69 -41.46 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.585 -0.734 . . . . 0.67 109.46 176.831 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.578 ' O ' HD13 ' B' ' 80' ' ' ILE . 58.7 m -61.58 -35.57 78.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.356 -0.838 . . . . 0.74 110.235 174.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.574 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.1 tm? -58.19 -45.31 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.073 -0.343 . . . . 1.14 110.073 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.561 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.1 t -63.6 -33.49 61.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.522 -0.547 . . . . 0.33 109.522 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.21 -50.45 73.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 0.43 110.128 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.578 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.34 -44.15 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.795 . . . . 0.4 110.298 175.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.781 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -68.82 -43.89 74.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.146 -0.934 . . . . 0.28 112.358 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 94.9 mt -67.38 -32.99 74.27 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.198 0.523 . . . . 0.33 110.212 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.4 OUTLIER -64.33 -49.63 70.96 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.354 -0.61 . . . . 1.67 109.354 171.672 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.59 64.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.963 0.357 . . . . 0.48 111.963 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.98 -60.29 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.916 0.339 . . . . 0.57 111.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -80.41 -38.66 29.8 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.624 0.726 . . . . 2.68 110.568 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.558 ' C ' ' H ' ' B' ' 89' ' ' THR . 37.3 t80 -90.08 23.43 2.83 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.719 -1.128 . . . . 1.8 109.441 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.2 20.1 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 115.792 1.775 . . . . 3.27 115.792 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.558 ' H ' ' C ' ' B' ' 87' ' ' TYR . 12.1 t -86.77 15.49 5.71 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.934 -0.765 . . . . 1.27 108.934 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' B' ' 89' ' ' THR . 14.4 m-70 . . . . . 0 CA--C 1.512 -0.498 0 CA-C-N 114.256 -1.338 . . . . 3.47 109.572 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.575 0.226 . . . . 3.1 110.725 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.05 -28.64 64.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.431 0.634 . . . . 2.51 110.148 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.527 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 93.2 m-70 -74.04 -46.46 43.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 2.16 109.675 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.565 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 88.7 mt -60.14 -59.07 6.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.262 0.553 . . . . 0.34 110.915 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.68 -26.19 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.493 -0.776 . . . . 2.41 110.83 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -69.57 -33.41 71.95 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.089 -0.577 . . . . 0.44 111.773 176.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG21 HG21 ' A' ' 78' ' ' VAL . 30.8 mm -70.44 -37.8 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.549 0.69 . . . . 1.16 109.219 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 83.6 t -64.92 -27.13 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.55 -0.75 . . . . 0.57 110.472 175.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.33 -44.05 72.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.8 -0.636 . . . . 1.42 110.263 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 30.4 pt -72.19 -23.44 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.693 -0.403 . . . . 2.06 110.574 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 13.6 m-30 -61.24 -46.49 90.18 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.142 -0.688 . . . . 2.57 109.142 169.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -67.09 -20.97 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.928 -1.033 . . . . 2.23 110.393 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 30.3 tt0 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.05 -0.523 . . . . 2.77 112.003 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 68.9 mt . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 121.15 0.5 . . . . 2.91 110.739 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -99.58 -171.5 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.198 -0.455 . . . . 1.35 109.874 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 18.7 ttmt -61.99 -25.82 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.616 0.228 . . . . 1.32 111.616 -173.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.48 99.69 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.736 -0.745 . . . . 0.4 112.532 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.05 -43.36 87.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.473 0.654 . . . . 2.44 109.823 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 16.9 tp -60.87 -49.94 75.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.89 -1.05 . . . . 0.52 109.992 176.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HA ' HD13 ' A' ' 54' ' ' ILE . 1.6 tmtp? -56.23 -49.56 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.964 -1.016 . . . . 1.87 110.77 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 56.1 tt0 -52.13 -61.9 1.98 Allowed 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 123.343 0.402 . . . . 2.46 110.017 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -53.32 -53.65 47.87 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.567 0.542 . . . . 0.45 111.265 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 48' ' ' ILE . 63.2 mt -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.849 0.685 . . . . 0.45 112.849 -173.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 30.7 p -64.78 -34.9 79.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.851 0.315 . . . . 1.23 111.851 -174.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.5 ptmm? -97.34 -34.35 11.09 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.865 0.691 . . . . 1.61 112.865 -175.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE1' ' HG3' ' A' ' 39' ' ' LYS . 7.0 mm-40 -96.17 -36.35 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 1.67 111.03 -170.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 40' ' ' GLU . 8.3 mp -115.09 27.43 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.285 0.564 . . . . 1.42 109.706 -176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -53.01 -34.01 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.725 -1.125 . . . . 0.78 113.795 -173.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -109.72 9.74 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.179 0.514 . . . . 2.16 111.03 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.6 -63.52 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.433 0.635 . . . . 0.66 110.469 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.568 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 54.2 mt -80.66 136.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.246 -0.888 . . . . 0.6 110.16 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.65 124.12 17.26 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.643 -0.253 . . . . 1.61 111.223 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 49' ' ' LYS . 2.6 t-20 42.87 46.87 4.71 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.83 0.824 . . . . 1.48 110.709 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.671 HD11 HD13 ' A' ' 37' ' ' LEU . 5.5 tp -66.04 3.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.976 -1.011 . . . . 0.55 110.148 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 47' ' ' ASN . 13.8 mmmm -97.64 -1.34 43.89 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.742 -0.663 . . . . 1.11 109.64 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 3.0 t70 -101.2 133.6 45.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.329 -0.85 . . . . 1.58 110.484 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.43 -20.39 65.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.618 -0.719 . . . . 0.92 110.322 178.034 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -71.17 -36.3 71.95 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.736 -0.838 . . . . 0.67 108.736 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.8 t -75.78 -45.39 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.816 -1.083 . . . . 0.6 109.275 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 34' ' ' LYS . 59.4 mt -59.53 -38.26 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.786 -1.097 . . . . 0.42 111.011 176.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.26 -49.59 71.28 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.67 -0.695 . . . . 1.53 110.05 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 19.8 mm-40 -49.36 -45.94 46.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.063 -0.971 . . . . 1.77 111.149 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.636 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.7 mt -72.5 -54.42 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.462 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 85.2 t80 -50.96 -50.74 57.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.856 -0.611 . . . . 1.68 111.062 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -69.82 -20.68 63.43 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.274 -0.875 . . . . 1.92 110.688 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.37 -23.91 69.58 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.061 -0.59 . . . . 0.53 112.137 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -92.96 -43.1 9.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.374 -0.973 . . . . 0.58 108.374 177.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.36 73.3 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 1.4 109.987 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.66 -16.75 63.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 1.3 110.63 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -20.29 56.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 2.8 109.711 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 59.96 40.78 18.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.051 -0.977 . . . . 2.72 110.849 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.8 1.21 28.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 2.13 110.054 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 66.67 36.59 4.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.064 -0.971 . . . . 2.02 109.679 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -143.08 117.59 9.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.714 -1.13 . . . . 2.16 110.233 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 18.3 m -110.84 125.39 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.123 0.487 . . . . 1.81 110.452 173.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.43 170.37 16.25 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.178 -0.675 . . . . 2.02 109.178 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.81 -29.51 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.955 0.407 . . . . 2.17 110.4 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 28.3 tt0 -69.32 -41.5 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 1.66 111.484 175.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.06 -33.32 67.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.111 0.481 . . . . 1.99 109.888 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.649 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 1.2 t80 -68.11 -21.29 64.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.719 0.771 . . . . 1.92 109.083 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.643 HD13 ' HG2' ' B' ' 83' ' ' LYS . 0.4 OUTLIER -71.53 -35.22 55.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.194 -0.912 . . . . 0.67 109.477 174.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.644 ' O ' HD13 ' A' ' 80' ' ' ILE . 28.4 m -64.44 -35.71 81.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.49 -0.777 . . . . 0.74 109.33 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.649 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.1 tm? -54.54 -47.0 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.988 0.423 . . . . 1.15 110.1 175.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.5 t -63.94 -33.25 60.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 CA-C-N 115.958 -0.565 . . . . 0.33 109.872 -177.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.8 -45.2 94.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.334 0.587 . . . . 0.43 110.319 175.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.644 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -61.02 -41.3 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.25 -0.886 . . . . 0.4 110.273 175.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -69.83 -34.49 73.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 0.28 111.431 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -68.92 -40.22 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.501 . . . . 0.33 110.115 176.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' B' ' 75' ' ' ILE . 7.8 mmmm -59.25 -49.17 78.87 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 109.06 -0.718 . . . . 1.67 109.06 171.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -62.13 -21.61 65.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.276 -0.42 . . . . 0.48 111.975 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -79.94 -53.53 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.005 0.372 . . . . 0.57 112.005 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.95 -39.17 18.45 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.78 0.8 . . . . 2.68 110.497 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.534 ' C ' ' H ' ' A' ' 89' ' ' THR . 33.6 t80 -89.66 23.44 2.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.48 -1.236 . . . . 1.8 109.02 177.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 18.4 t-80 -48.53 19.89 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.068 1.747 . . . . 3.26 115.083 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.534 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.7 t -75.28 -31.29 60.68 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.599 -0.889 . . . . 1.26 108.599 172.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 m80 . . . . . 0 N--CA 1.465 0.295 0 C-N-CA 123.986 0.915 . . . . 3.47 110.14 178.807 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.588 0.232 . . . . 3.1 110.774 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -57.95 -28.52 64.4 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.44 0.638 . . . . 2.51 110.255 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.53 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 93.3 m-70 -74.1 -46.6 41.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 2.16 109.611 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.536 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 88.5 mt -60.08 -59.06 6.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.262 0.553 . . . . 0.34 110.893 174.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.86 -26.06 67.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.625 -0.716 . . . . 2.41 110.774 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.527 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -69.51 -33.39 72.18 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.96 -0.638 . . . . 0.44 111.832 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.55 HG21 HG21 ' B' ' 78' ' ' VAL . 30.7 mm -70.38 -37.86 72.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.648 0.737 . . . . 1.16 109.196 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' B' ' 15' ' ' PHE . 82.3 t -64.95 -27.16 41.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.535 -0.757 . . . . 0.57 110.424 175.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.2 -44.28 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 1.42 110.354 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 30.2 pt -72.12 -23.46 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.686 -0.405 . . . . 2.06 110.663 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 13.5 m-30 -61.07 -46.15 91.85 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.27 -0.641 . . . . 2.58 109.27 169.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -67.59 -20.66 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.957 -1.019 . . . . 2.23 110.441 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 30.3 tt0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 2.77 111.879 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 68.4 mt . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.183 0.516 . . . . 2.91 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.2 t -99.53 -171.19 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.756 -0.461 . . . . 1.35 109.756 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.498 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 18.8 ttmt -62.35 -25.74 68.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.622 0.231 . . . . 1.32 111.622 -173.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.7 -42.82 99.64 Favored Glycine 0 N--CA 1.455 -0.048 0 C-N-CA 120.934 -0.65 . . . . 0.4 112.597 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.47 -43.71 89.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.413 0.625 . . . . 2.43 109.856 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 17.0 tp -60.74 -49.88 75.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.958 -1.019 . . . . 0.52 109.919 176.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.517 ' HA ' HD13 ' B' ' 54' ' ' ILE . 1.6 tmtp? -56.41 -49.34 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.056 -0.974 . . . . 1.87 110.72 -178.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 56.5 tt0 -52.34 -61.81 2.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.355 0.409 . . . . 2.45 110.032 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -53.39 -53.57 49.24 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.9 -0.591 . . . . 0.45 111.221 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.688 HD13 HD11 ' B' ' 48' ' ' ILE . 63.6 mt -62.04 -47.96 82.39 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.81 0.67 . . . . 0.45 112.81 -173.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 31.1 p -64.66 -34.9 79.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.854 0.316 . . . . 1.23 111.854 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.6 ptmm? -97.31 -34.19 11.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.908 0.707 . . . . 1.62 112.908 -175.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' HG3' ' B' ' 39' ' ' LYS . 6.7 mm-40 -96.2 -36.32 10.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.87 0.367 . . . . 1.67 111.108 -170.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.403 HD12 ' C ' ' B' ' 40' ' ' GLU . 8.1 mp -115.18 27.54 9.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.372 0.606 . . . . 1.42 109.771 -176.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.85 -34.67 55.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.732 -1.122 . . . . 0.78 113.751 -173.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -109.45 9.92 25.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.282 0.563 . . . . 2.16 111.02 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.62 -63.9 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.466 0.651 . . . . 0.66 110.335 -174.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.562 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.4 mt -80.17 136.5 23.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.176 -0.92 . . . . 0.6 110.046 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.89 124.4 18.45 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.545 -0.298 . . . . 1.61 111.168 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' B' ' 49' ' ' LYS . 2.7 t-20 42.48 46.85 4.24 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.842 0.83 . . . . 1.48 110.798 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.688 HD11 HD13 ' B' ' 37' ' ' LEU . 5.5 tp -65.92 3.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.044 -0.98 . . . . 0.56 110.181 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' B' ' 47' ' ' ASN . 13.8 mmmm -97.47 -1.78 43.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.871 -0.604 . . . . 1.11 109.697 -177.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.432 ' HB2' ' OD1' ' B' ' 47' ' ' ASN . 2.8 t70 -100.69 133.34 45.28 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.209 -0.905 . . . . 1.59 110.612 178.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.498 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.4 -20.44 65.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.92 110.191 178.013 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.82 -36.68 73.06 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.826 -0.805 . . . . 0.67 108.826 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 37.2 t -75.71 -45.31 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.632 -1.167 . . . . 0.6 109.299 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' B' ' 34' ' ' LYS . 59.6 mt -59.53 -38.23 74.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.87 -1.059 . . . . 0.42 110.95 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.36 -49.44 71.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 115.643 -0.708 . . . . 1.53 110.004 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 19.6 mm-40 -49.24 -46.09 45.56 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.048 -0.978 . . . . 1.77 111.375 177.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.9 mt -72.54 -54.41 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.927 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' B' ' 33' ' ' LEU . 85.4 t80 -50.93 -50.61 57.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 1.67 111.181 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -69.91 -20.63 63.36 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.286 -0.87 . . . . 1.91 110.565 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.14 -24.7 68.16 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.989 -0.624 . . . . 0.53 112.149 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.5 OUTLIER -92.45 -43.25 9.3 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.366 -0.976 . . . . 0.59 108.366 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -80.32 73.48 7.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.755 -1.111 . . . . 1.4 110.005 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -16.5 63.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.368 -0.833 . . . . 1.31 110.654 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -20.23 56.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.439 0.637 . . . . 2.8 109.652 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 59.84 41.28 18.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 114.822 -1.081 . . . . 2.72 110.699 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.94 1.05 28.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 2.14 110.063 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 66.61 37.09 4.55 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.15 -0.932 . . . . 2.01 109.75 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -143.5 117.75 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.731 -1.122 . . . . 2.16 110.113 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.45 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 18.2 m -111.27 124.95 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.177 0.513 . . . . 1.81 110.529 173.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.96 170.27 16.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 2.02 109.243 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.82 -29.6 62.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.939 0.4 . . . . 2.18 110.346 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.551 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 28.2 tt0 -69.28 -41.52 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 1.67 111.504 175.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.07 -33.17 67.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.124 0.487 . . . . 1.99 109.891 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.649 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 1.2 t80 -68.2 -21.47 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.718 0.77 . . . . 1.92 109.027 173.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -71.46 -35.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.196 -0.911 . . . . 0.67 109.541 174.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.645 ' O ' HD13 ' B' ' 80' ' ' ILE . 27.4 m -64.31 -35.74 81.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.74 109.479 172.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.649 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.1 tm? -54.57 -47.08 73.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.303 -0.408 . . . . 1.14 110.009 175.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.2 t -63.74 -33.43 61.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 116.01 -0.541 . . . . 0.33 109.958 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.74 -45.2 94.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.323 0.582 . . . . 0.43 110.3 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.645 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.99 -41.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.253 -0.885 . . . . 0.4 110.289 175.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -69.83 -34.42 73.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.57 -0.741 . . . . 0.28 111.46 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.3 mt -68.94 -40.17 79.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.087 -0.506 . . . . 0.33 110.079 176.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.643 ' HG2' HD13 ' A' ' 75' ' ' ILE . 7.6 mmmm -59.32 -49.09 79.15 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.967 -0.753 . . . . 1.67 108.967 171.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -62.22 -21.63 65.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.178 -0.465 . . . . 0.48 111.958 178.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.01 -53.6 6.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.942 0.349 . . . . 0.57 111.942 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.74 -39.19 18.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.768 0.794 . . . . 2.68 110.547 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.534 ' C ' ' H ' ' B' ' 89' ' ' THR . 34.5 t80 -89.65 23.18 2.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.539 -1.21 . . . . 1.8 108.967 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 18.1 t-80 -48.32 20.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.19 1.796 . . . . 3.27 115.164 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.534 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.1 t -75.49 -31.93 60.38 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.384 -0.969 . . . . 1.27 108.384 172.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 m80 . . . . . 0 N--CA 1.465 0.286 0 CA-C-N 115.13 -0.941 . . . . 3.47 110.111 179.043 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.393 0.616 . . . . 3.1 110.175 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.68 -18.86 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.339 -0.846 . . . . 2.51 110.672 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.602 ' O ' HG13 ' A' ' 11' ' ' ILE . 31.7 m80 -71.34 -49.49 41.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.496 -0.32 . . . . 2.16 110.72 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.869 HD13 ' HB1' ' B' ' 81' ' ' ALA . 75.0 mt -63.31 -60.74 3.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.34 111.334 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.94 -22.44 66.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.767 -0.651 . . . . 2.41 109.926 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.669 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -72.85 -35.94 58.02 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.316 -0.856 . . . . 0.44 112.636 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 7' ' ' HIS . 56.8 mt -74.42 -39.48 48.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.229 -0.656 . . . . 1.16 109.229 178.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' B' ' 85' ' ' ALA . 69.0 t -55.32 -39.43 52.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.153 -0.93 . . . . 0.57 110.007 169.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.25 -32.71 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.06 -0.973 . . . . 1.42 111.007 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.669 HG13 ' O ' ' A' ' 10' ' ' GLY . 73.5 mt -64.74 -42.55 95.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.925 0.393 . . . . 2.06 110.594 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.88 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.726 -0.472 . . . . 2.57 109.726 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -72.97 -24.71 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 2.23 110.96 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 2.77 111.56 -174.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 1.1 pt? . . . . . 0 C--O 1.233 0.2 0 CA-C-O 122.28 1.038 . . . . 2.91 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -100.06 -170.51 1.89 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.775 -1.102 . . . . 1.35 110.389 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 22.5 ttmt -60.31 -23.76 64.45 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 122.443 -0.161 . . . . 1.32 111.429 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.43 -57.58 16.66 Favored Glycine 0 C--O 1.235 0.178 0 C-N-CA 121.412 -0.423 . . . . 0.4 114.103 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.62 -38.15 77.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.589 0.218 . . . . 2.44 111.589 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 23.1 tp -57.56 -51.48 69.29 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.193 -0.669 . . . . 0.52 109.193 175.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 54' ' ' ILE . 26.5 ttpp -49.59 -51.35 37.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.59 -1.187 . . . . 1.87 111.255 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.752 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 6.3 mm100 -61.42 -59.99 4.41 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 116.194 -0.457 . . . . 2.46 110.838 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -47.77 -42.9 26.85 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.414 0.626 . . . . 0.45 110.724 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 82.3 mt -68.44 -49.62 58.62 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.086 -0.507 . . . . 0.45 112.33 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -71.88 -27.51 62.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.66 0.244 . . . . 1.23 111.66 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.752 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.04 -36.36 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.795 0.665 . . . . 1.61 112.795 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 9.2 mm-40 -98.1 -42.22 7.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 1.67 110.812 -171.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.631 ' HG ' HD11 ' B' ' 8' ' ' LEU . 6.6 mp -103.41 24.77 10.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.434 0.635 . . . . 1.42 109.781 -178.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -51.28 -32.07 23.42 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.445 -1.252 . . . . 0.78 114.359 -172.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -108.29 -1.96 19.64 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.762 -0.375 . . . . 2.16 111.611 -171.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -96.62 -58.48 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.472 0.653 . . . . 0.66 110.457 -171.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.596 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.2 mt -82.03 139.78 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.969 -1.014 . . . . 0.6 109.907 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' O ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -59.83 123.76 18.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 123.167 0.292 . . . . 1.61 110.295 -175.23 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' LYS . 4.4 m-20 42.6 43.86 3.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.977 0.798 . . . . 1.48 111.828 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.596 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.8 tp -61.84 -5.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.98 0.895 . . . . 0.55 111.149 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 47' ' ' ASN . 10.7 mmmm -79.01 -20.65 48.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.159 -0.928 . . . . 1.11 109.862 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -84.24 128.12 34.37 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.406 -0.815 . . . . 1.58 111.249 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.9 tmtp? -62.21 -28.99 70.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.741 -1.118 . . . . 0.92 109.955 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.57 77.5 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.276 0.56 . . . . 0.67 109.527 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 57' ' ' ILE . 14.1 t -67.79 -44.8 85.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.922 -1.035 . . . . 0.6 108.935 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 34' ' ' LYS . 69.1 mt -61.99 -38.44 80.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.653 -1.158 . . . . 0.42 111.001 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.606 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 31.3 t70 -63.07 -51.03 68.26 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.47 -0.786 . . . . 1.53 109.2 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.28 -45.09 44.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.713 -1.13 . . . . 1.77 111.439 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.662 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.9 mt -72.4 -52.48 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.807 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 69' ' ' VAL . 83.1 t80 -50.48 -47.06 57.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.71 -0.677 . . . . 1.68 110.849 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.4 mm-40 -62.78 -34.36 77.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.457 -0.792 . . . . 1.92 110.385 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.21 -26.1 74.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.969 -0.634 . . . . 0.53 112.602 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -89.21 -44.6 10.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.102 -0.703 . . . . 0.58 109.102 179.392 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -70.87 73.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.305 -0.861 . . . . 1.4 110.833 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 -16.41 62.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.174 -0.921 . . . . 1.3 109.954 176.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -20.53 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.418 -0.81 . . . . 2.8 109.778 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 56.21 35.1 25.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.783 -1.099 . . . . 2.72 110.758 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -114.95 0.39 13.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 2.13 110.488 -175.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 69.14 37.57 2.12 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.206 -0.906 . . . . 2.02 110.351 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -137.54 117.45 13.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 2.16 109.36 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG13 ' CE1' ' A' ' 58' ' ' PHE . 3.8 m -97.16 107.75 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.374 0.606 . . . . 1.81 111.019 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.97 176.18 4.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 2.02 109.556 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -59.67 -28.35 67.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.508 -0.553 . . . . 2.17 109.508 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 56.4 tt0 -65.56 -44.37 86.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.274 0.559 . . . . 1.66 110.584 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -67.02 -28.25 68.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.743 0.782 . . . . 1.99 109.862 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . 76.7 t80 -73.33 -25.34 60.59 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.495 -0.775 . . . . 1.92 110.066 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.62 HG23 ' HB1' ' B' ' 79' ' ' ALA . 1.1 mp -62.42 -44.62 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.379 -0.6 . . . . 0.67 109.379 174.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.582 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.3 p -74.32 -28.31 61.1 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.821 -0.627 . . . . 0.74 110.7 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.4 tm? -58.54 -47.6 83.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.976 0.417 . . . . 1.15 109.984 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.494 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.9 t -68.66 -28.31 39.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.13 -0.486 . . . . 0.33 110.271 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' B' ' 75' ' ' ILE . . . -58.28 -50.24 74.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.529 0.681 . . . . 0.43 109.55 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.46 -41.78 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.025 -0.989 . . . . 0.4 110.461 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.844 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -71.82 -39.8 69.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.396 -0.82 . . . . 0.28 112.506 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.513 ' HB2' HG13 ' B' ' 75' ' ' ILE . 94.8 mt -64.32 -41.76 96.65 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.53 0.681 . . . . 0.33 109.882 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 8.7 tptm -65.71 -33.77 76.65 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.929 -1.032 . . . . 1.67 109.148 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -70.13 -22.92 62.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.504 -0.317 . . . . 0.48 111.05 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.29 -60.22 2.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.852 0.315 . . . . 0.57 111.852 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.482 ' HB2' HG13 ' B' ' 12' ' ' VAL . 1.5 t60 -77.68 -46.47 21.81 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.427 0.632 . . . . 2.68 110.842 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.596 ' HB3' ' O ' ' A' ' 83' ' ' LYS . 22.9 t80 -86.63 24.81 1.36 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.859 -1.064 . . . . 1.8 109.609 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' A' ' 90' ' ' HIS . 31.6 t60 -48.84 17.99 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.085 1.754 . . . . 3.26 114.602 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 87' ' ' TYR . 15.0 t -81.82 15.82 2.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.891 -0.781 . . . . 1.26 108.891 172.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 88' ' ' HIS . 30.2 m80 . . . . . 0 CA--C 1.51 -0.585 0 CA-C-N 114.162 -1.381 . . . . 3.47 109.189 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.427 0.632 . . . . 3.1 110.192 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.39 -18.9 62.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.092 -0.958 . . . . 2.51 110.662 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.601 ' O ' HG13 ' B' ' 11' ' ' ILE . 31.5 m80 -71.49 -49.51 40.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.462 -0.335 . . . . 2.16 110.562 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.844 HD13 ' HB1' ' A' ' 81' ' ' ALA . 76.4 mt -63.25 -60.68 3.08 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.34 111.245 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -22.38 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.777 -0.647 . . . . 2.41 109.994 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.669 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -72.49 -36.34 59.07 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.423 -0.808 . . . . 0.44 112.623 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 7' ' ' HIS . 56.6 mt -74.26 -39.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.308 -0.627 . . . . 1.16 109.308 178.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 85' ' ' ALA . 64.9 t -55.53 -39.68 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.183 -0.917 . . . . 0.57 109.968 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.02 -32.44 72.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.013 -0.994 . . . . 1.42 111.109 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.669 HG13 ' O ' ' B' ' 10' ' ' GLY . 73.9 mt -64.9 -42.63 95.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 120.922 0.391 . . . . 2.06 110.622 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.61 -35.29 80.53 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.74 -0.467 . . . . 2.58 109.74 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -72.6 -24.95 61.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 2.23 110.946 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 2.77 111.523 -174.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 1.1 pt? . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 122.292 1.044 . . . . 2.91 110.943 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -100.1 -170.48 1.88 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.754 -1.112 . . . . 1.35 110.451 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.575 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 22.4 ttmt -60.21 -23.62 64.17 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 111.509 0.189 . . . . 1.32 111.509 -176.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.56 17.08 Favored Glycine 0 C--O 1.235 0.174 0 N-CA-C 114.1 0.4 . . . . 0.4 114.1 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' B' ' 32' ' ' GLU . 6.6 pt-20 -69.83 -38.08 76.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.51 0.189 . . . . 2.43 111.51 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.661 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -57.52 -51.59 68.86 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.238 -0.653 . . . . 0.52 109.238 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' B' ' 54' ' ' ILE . 26.4 ttpp -49.45 -51.28 36.74 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.568 -1.196 . . . . 1.87 111.219 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.746 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 6.4 mm100 -61.58 -60.14 4.15 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.227 -0.442 . . . . 2.45 110.814 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -47.47 -42.9 23.66 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.566 0.698 . . . . 0.45 110.735 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 82.4 mt -68.64 -49.46 58.94 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 116.087 -0.506 . . . . 0.45 112.252 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.2 t -71.96 -27.39 62.75 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.687 0.255 . . . . 1.23 111.687 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.746 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -97.11 -36.43 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.71 0.634 . . . . 1.62 112.71 -179.294 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 7.6 mm-40 -98.12 -42.2 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 1.67 110.772 -171.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.61 ' HG ' HD11 ' A' ' 8' ' ' LEU . 6.6 mp -103.49 24.78 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 1.42 109.712 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -51.32 -32.27 24.64 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 114.388 1.255 . . . . 0.78 114.388 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -107.69 -2.77 19.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.917 0.389 . . . . 2.16 111.702 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -96.11 -58.63 2.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.553 0.692 . . . . 0.66 110.389 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.2 mt -81.95 139.57 17.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.949 -1.023 . . . . 0.6 109.927 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.41 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -59.56 123.51 17.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.199 0.312 . . . . 1.61 110.387 -175.487 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 42.69 43.84 3.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.999 0.812 . . . . 1.48 111.832 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.9 tp -61.81 -5.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.895 0.855 . . . . 0.56 111.05 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -79.05 -20.9 47.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.217 -0.902 . . . . 1.11 109.782 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.07 128.43 34.55 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.382 -0.826 . . . . 1.59 111.112 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.575 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.9 tmtp? -62.75 -28.88 70.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.828 -1.078 . . . . 0.92 109.968 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.65 77.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.407 -0.59 . . . . 0.67 109.407 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.427 ' O ' HG13 ' B' ' 57' ' ' ILE . 13.9 t -67.68 -44.7 85.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.993 -1.003 . . . . 0.6 108.946 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' B' ' 34' ' ' LYS . 69.2 mt -62.21 -38.14 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.691 -1.14 . . . . 0.42 110.961 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.616 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 28.2 t70 -63.37 -50.96 67.86 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.436 -0.802 . . . . 1.53 109.219 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -49.25 -45.09 44.28 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.741 -1.118 . . . . 1.77 111.384 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.654 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.4 mt -72.28 -52.45 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.886 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.457 ' CE1' HG13 ' B' ' 69' ' ' VAL . 82.7 t80 -50.68 -47.06 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 1.67 110.766 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.8 mm-40 -62.92 -34.11 76.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.804 . . . . 1.91 110.381 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.04 -26.55 73.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.939 -0.648 . . . . 0.53 112.551 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.7 OUTLIER -88.85 -44.83 10.2 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.137 -0.69 . . . . 0.59 109.137 179.518 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -70.57 74.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.24 -0.891 . . . . 1.4 110.899 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.4 -16.36 62.95 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.111 -0.95 . . . . 1.31 109.971 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -20.48 60.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.566 -0.743 . . . . 2.8 109.901 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 56.35 35.16 25.41 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.815 -1.084 . . . . 2.72 110.602 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -114.86 0.24 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.897 -0.592 . . . . 2.14 110.313 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 68.92 37.64 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.315 -0.857 . . . . 2.01 110.35 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -137.35 117.62 13.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.42 -0.809 . . . . 2.16 109.336 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.457 HG13 ' CE1' ' B' ' 58' ' ' PHE . 3.9 m -97.34 107.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.345 0.593 . . . . 1.81 111.156 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.84 176.27 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.689 -0.687 . . . . 2.02 109.579 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -59.85 -28.22 67.32 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.444 -0.576 . . . . 2.18 109.444 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.54 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 56.0 tt0 -65.61 -44.29 87.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.248 0.547 . . . . 1.67 110.668 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -67.19 -28.12 67.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.601 0.715 . . . . 1.99 109.683 175.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.443 ' O ' HG23 ' B' ' 78' ' ' VAL . 77.1 t80 -73.32 -25.4 60.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.639 -0.71 . . . . 1.92 110.023 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.614 HG23 ' HB1' ' A' ' 79' ' ' ALA . 1.1 mp -62.46 -44.56 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 109.384 -0.599 . . . . 0.67 109.384 174.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.587 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.3 p -74.32 -28.28 61.09 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.802 -0.636 . . . . 0.74 110.709 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.632 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.4 tm? -58.59 -47.62 83.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 1.14 109.967 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.5 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 44.7 t -68.73 -28.13 38.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 0.33 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.62 ' HB1' HG23 ' A' ' 75' ' ' ILE . . . -58.41 -50.21 74.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.466 0.651 . . . . 0.43 109.513 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.587 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.19 -42.05 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.068 -0.969 . . . . 0.4 110.428 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.869 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -71.85 -39.6 69.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.405 -0.816 . . . . 0.28 112.532 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.502 ' HB2' HG13 ' A' ' 75' ' ' ILE . 94.8 mt -64.37 -41.96 96.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.515 0.674 . . . . 0.33 109.776 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.614 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 8.7 tptm -65.55 -33.62 76.33 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.941 -1.027 . . . . 1.67 109.27 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -70.37 -22.81 62.73 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.47 -0.332 . . . . 0.48 111.129 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.549 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.33 -60.52 2.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.508 -0.315 . . . . 0.57 111.73 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.49 ' HB2' HG13 ' A' ' 12' ' ' VAL . 1.5 t60 -77.41 -46.26 23.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.552 0.691 . . . . 2.68 110.952 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.614 ' HB3' ' O ' ' B' ' 83' ' ' LYS . 23.5 t80 -86.93 24.72 1.44 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.913 -1.04 . . . . 1.8 109.503 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 30.9 t60 -48.73 18.25 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.018 1.727 . . . . 3.27 114.648 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.591 ' H ' ' C ' ' B' ' 87' ' ' TYR . 15.1 t -82.09 15.59 2.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.036 -0.727 . . . . 1.27 109.036 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.467 ' H ' ' C ' ' B' ' 88' ' ' HIS . 31.0 m80 . . . . . 0 CA--C 1.51 -0.569 0 CA-C-N 114.014 -1.448 . . . . 3.47 109.274 -175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.184 0.516 . . . . 3.1 109.655 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.83 -25.65 65.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.638 -0.71 . . . . 2.51 110.896 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.428 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.6 m-70 -78.83 -50.65 10.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.257 -0.429 . . . . 2.16 110.064 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.723 HD13 ' HB1' ' B' ' 81' ' ' ALA . 84.8 mt -62.46 -60.3 3.74 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.613 0.57 . . . . 0.34 110.767 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.01 -32.61 72.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.231 -0.895 . . . . 2.41 110.608 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.25 92.86 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.945 -0.571 . . . . 0.44 112.631 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 14' ' ' ILE . 29.2 mm -66.96 -41.68 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.64 0.733 . . . . 1.16 109.662 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -64.07 -45.84 95.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.087 -0.96 . . . . 0.57 111.363 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.68 -40.08 94.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 1.42 111.227 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 11' ' ' ILE . 10.0 tp -70.56 -28.03 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.847 -0.341 . . . . 2.06 110.733 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.414 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.5 t80 -70.4 -36.14 73.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.579 -0.526 . . . . 2.57 109.579 175.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -70.43 -19.98 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.576 -0.738 . . . . 2.23 110.165 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 2.77 110.669 179.042 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 120.954 0.407 . . . . 2.91 110.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -103.37 -171.71 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.578 -0.283 . . . . 1.35 111.27 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 20.7 ttmt -64.86 -25.43 67.89 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.939 -0.304 . . . . 1.32 110.826 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.73 -53.83 34.0 Favored Glycine 0 CA--C 1.505 -0.546 0 CA-C-O 121.564 0.536 . . . . 0.4 112.407 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -76.04 -38.65 56.95 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.288 -0.956 . . . . 2.44 110.831 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 25.0 tp -60.98 -47.99 83.88 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.354 -0.839 . . . . 0.52 109.033 175.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HG3' HD13 ' A' ' 54' ' ' ILE . 4.4 ttpm? -54.25 -50.53 67.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.68 . . . . 1.87 110.53 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 52.7 tt0 -53.45 -59.42 4.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.917 -0.583 . . . . 2.46 110.492 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.55 -51.93 63.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 120.942 0.401 . . . . 0.45 110.848 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 84.5 mt -63.62 -47.82 79.8 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.61 0.596 . . . . 0.45 112.61 -173.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 32.5 p -64.5 -33.23 75.42 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.677 0.251 . . . . 1.23 111.677 -174.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -96.17 -37.13 10.7 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.404 0.52 . . . . 1.61 112.404 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 59.6 mm-40 -90.34 -47.01 8.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.126 -0.23 . . . . 1.67 111.459 -170.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' B' ' 8' ' ' LEU . 1.6 mm? -108.27 30.31 6.53 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.396 0.617 . . . . 1.42 110.573 -177.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -58.05 -24.06 56.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.069 -0.969 . . . . 0.78 111.814 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -98.87 -5.17 31.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.871 -0.604 . . . . 2.16 111.322 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.25 -62.39 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.45 0.643 . . . . 0.66 110.987 -170.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.615 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.9 mt -80.68 131.32 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.313 -0.858 . . . . 0.6 110.399 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.67 30.88 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.219 0.325 . . . . 1.61 110.702 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.429 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.0 m-20 44.54 41.43 4.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.713 -0.676 . . . . 1.48 112.023 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.615 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.3 tp -65.41 -4.37 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 122.048 0.928 . . . . 0.55 110.377 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -82.02 -18.33 43.68 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.773 -1.103 . . . . 1.11 109.792 179.108 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.06 127.55 33.67 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.292 -0.867 . . . . 1.58 110.759 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.31 -23.85 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.625 -0.716 . . . . 0.92 109.882 178.483 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.03 74.97 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.969 -0.752 . . . . 0.67 108.969 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 57' ' ' ILE . 42.4 t -71.96 -45.83 62.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.742 -1.117 . . . . 0.6 109.428 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.522 HD13 ' HG3' ' A' ' 34' ' ' LYS . 95.9 mt -60.08 -42.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.091 -0.959 . . . . 0.42 111.305 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.9 t70 -63.79 -48.36 77.2 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.949 -0.569 . . . . 1.53 109.999 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -47.87 -45.84 30.79 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.728 -0.669 . . . . 1.77 111.113 175.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.574 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 mm -73.31 -52.82 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.894 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -50.73 -48.55 58.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.551 -0.749 . . . . 1.68 110.79 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mm-40 -64.42 -30.53 71.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.224 -0.898 . . . . 1.92 110.657 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.99 75.99 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.908 -0.663 . . . . 0.53 112.369 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -93.6 -43.15 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.148 -0.686 . . . . 0.58 109.148 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -79.75 73.84 6.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.011 -0.995 . . . . 1.4 110.206 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.46 -16.02 60.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.342 -0.845 . . . . 1.3 110.199 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.33 -20.23 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.437 -0.801 . . . . 2.8 110.414 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 62.97 37.28 11.98 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.919 -1.037 . . . . 2.72 111.141 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -107.67 -2.65 19.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.495 . . . . 2.13 110.761 -175.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 68.15 41.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.358 -0.837 . . . . 2.02 111.718 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 68' ' ' GLN . 11.1 pt20 -151.75 117.87 5.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.074 -0.512 . . . . 2.16 110.228 173.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -101.51 125.22 55.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.443 0.639 . . . . 1.81 111.22 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -82.9 -175.59 5.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.763 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -64.46 -30.0 71.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.754 0.312 . . . . 2.17 110.177 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.589 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 33.1 tt0 -67.18 -40.39 86.58 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.529 0.68 . . . . 1.66 110.62 175.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 25.7 mt-10 -76.55 -30.21 57.0 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.391 0.615 . . . . 1.99 109.975 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 78' ' ' VAL . 58.4 t80 -72.05 -20.99 61.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.944 -0.571 . . . . 1.92 109.574 172.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.589 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.6 OUTLIER -66.65 -44.29 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.652 -0.704 . . . . 0.67 109.216 177.279 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.529 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.1 p -65.71 -32.03 73.36 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.736 -0.666 . . . . 0.74 110.464 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.2 tm? -57.4 -45.39 84.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.954 0.407 . . . . 1.15 109.986 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 74' ' ' PHE . 13.4 t -67.17 -29.03 44.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 116.011 -0.54 . . . . 0.33 110.062 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -62.67 -44.37 96.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.37 0.605 . . . . 0.43 109.711 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.529 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -58.71 -47.91 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.356 -0.838 . . . . 0.4 109.851 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -70.13 -33.84 72.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.025 -0.989 . . . . 0.28 112.4 -173.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 80.0 mt -66.65 -41.43 88.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.818 0.342 . . . . 0.33 110.797 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -76.94 -30.82 56.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.374 -0.93 . . . . 1.67 110.492 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -54.63 -25.88 29.41 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.81 -0.356 . . . . 0.48 111.104 166.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.01 -53.54 5.74 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.05 0.389 . . . . 0.57 112.05 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' A' ' 88' ' ' HIS . 28.2 t-80 -82.5 -58.92 2.71 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.359 0.599 . . . . 2.68 110.702 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.52 ' C ' ' H ' ' A' ' 89' ' ' THR . 34.9 t80 -74.97 22.96 0.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.049 -0.978 . . . . 1.8 110.503 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.5 p-80 -49.46 13.58 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.14 1.533 . . . . 3.26 115.14 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.52 ' H ' ' C ' ' A' ' 87' ' ' TYR . 6.0 t -74.81 -38.53 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.219 -1.03 . . . . 1.26 108.219 174.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 CA--C 1.517 -0.327 0 CA-C-N 114.618 -1.174 . . . . 3.47 109.03 175.387 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 121.171 0.51 . . . . 3.1 109.636 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.36 -25.92 64.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.655 -0.702 . . . . 2.51 111.01 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.428 ' O ' HG12 ' B' ' 11' ' ' ILE . 19.8 m-70 -78.74 -50.61 11.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.245 -0.434 . . . . 2.16 110.047 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.708 HD13 ' HB1' ' A' ' 81' ' ' ALA . 84.8 mt -62.58 -60.24 3.8 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.517 0.511 . . . . 0.34 110.693 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.92 -32.58 72.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.322 -0.853 . . . . 2.41 110.647 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.21 92.59 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.971 -0.559 . . . . 0.44 112.521 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.493 ' O ' HG22 ' B' ' 14' ' ' ILE . 29.0 mm -67.04 -41.82 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 1.16 109.596 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.83 -45.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.144 -0.935 . . . . 0.57 111.311 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -64.63 -40.18 95.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 1.42 111.345 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.493 HG22 ' O ' ' B' ' 11' ' ' ILE . 9.9 tp -70.47 -28.02 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.904 -0.318 . . . . 2.06 110.758 -177.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.8 t80 -70.55 -35.97 73.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.572 -0.529 . . . . 2.58 109.572 175.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.5 -19.86 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 2.23 110.209 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 2.77 110.736 179.131 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 120.94 0.4 . . . . 2.91 110.22 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -103.42 -171.78 2.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.583 -0.281 . . . . 1.35 111.261 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 20.7 ttmt -64.96 -25.36 67.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.912 -0.315 . . . . 1.32 110.756 -177.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.62 -53.81 33.8 Favored Glycine 0 CA--C 1.504 -0.606 0 C-N-CA 121.118 -0.563 . . . . 0.4 112.5 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -76.16 -38.38 56.74 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.209 -0.996 . . . . 2.43 110.851 -172.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.9 tp -61.17 -47.89 84.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.301 -0.863 . . . . 0.52 109.222 175.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.514 ' HG3' HD13 ' B' ' 54' ' ' ILE . 4.4 ttpm? -54.1 -50.81 66.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 1.87 110.569 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 52.4 tt0 -53.21 -59.54 4.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 2.45 110.451 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.59 -52.06 63.35 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.384 0.428 . . . . 0.45 110.822 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 84.4 mt -63.38 -48.05 79.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.683 0.623 . . . . 0.45 112.683 -173.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 31.4 p -64.38 -33.06 74.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.676 0.274 . . . . 1.23 111.716 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.4 ptmm? -96.36 -37.11 10.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.415 0.524 . . . . 1.62 112.415 -176.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.461 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 59.9 mm-40 -90.38 -46.95 8.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.543 0.211 . . . . 1.67 111.5 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.454 ' HG ' HD11 ' A' ' 8' ' ' LEU . 1.6 mm? -108.54 30.43 6.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.287 0.565 . . . . 1.42 110.501 -177.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -58.12 -24.08 57.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.103 -0.953 . . . . 0.78 111.896 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.75 -5.22 31.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.846 -0.615 . . . . 2.16 111.304 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.17 -62.14 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.478 0.656 . . . . 0.66 111.069 -170.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.612 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.7 mt -81.06 131.09 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.325 -0.852 . . . . 0.6 110.453 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.423 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.81 31.55 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.05 0.219 . . . . 1.61 110.831 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.423 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.0 m-20 44.69 41.48 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.846 0.716 . . . . 1.48 112.002 177.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.612 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.3 tp -65.61 -4.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.086 0.946 . . . . 0.56 110.276 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -81.87 -18.3 44.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.743 -1.117 . . . . 1.11 109.804 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.14 127.2 33.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.31 -0.859 . . . . 1.59 110.663 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.466 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.01 -23.92 65.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.585 -0.734 . . . . 0.92 109.934 178.094 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.05 75.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.005 -0.739 . . . . 0.67 109.005 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.468 ' O ' HG12 ' B' ' 57' ' ' ILE . 42.5 t -72.15 -45.86 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.73 -1.123 . . . . 0.6 109.464 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.514 HD13 ' HG3' ' B' ' 34' ' ' LYS . 95.9 mt -59.9 -41.98 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.067 -0.969 . . . . 0.42 111.22 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 22.3 t70 -63.92 -48.14 77.75 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.981 -0.554 . . . . 1.53 109.918 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -48.36 -45.35 35.43 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.671 -0.695 . . . . 1.77 111.096 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.573 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 23.4 mm -73.64 -53.0 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.922 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.71 -48.73 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 1.67 110.842 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.0 mm-40 -64.2 -30.51 71.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.241 -0.89 . . . . 1.91 110.525 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -25.07 75.9 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.822 -0.704 . . . . 0.53 112.478 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.4 OUTLIER -93.5 -42.96 8.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.14 -0.689 . . . . 0.59 109.14 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -79.92 73.85 6.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.063 -0.971 . . . . 1.4 110.312 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.33 -16.05 60.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.422 -0.808 . . . . 1.31 110.145 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.22 -20.17 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.455 -0.793 . . . . 2.8 110.226 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 63.02 37.03 12.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.076 -0.966 . . . . 2.72 111.085 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -107.54 -2.55 20.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.174 0.512 . . . . 2.14 110.847 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 68.26 41.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.355 -0.839 . . . . 2.01 111.784 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 11.1 pt20 -151.51 117.89 5.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 2.16 110.233 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 m -101.54 125.11 55.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.455 0.645 . . . . 1.81 111.201 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.81 -175.35 5.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 2.02 109.792 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.57 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.153 -0.314 . . . . 2.18 110.153 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.588 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 33.3 tt0 -67.16 -40.8 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.584 0.707 . . . . 1.67 110.583 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 26.0 mt-10 -76.15 -30.24 58.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.801 -0.636 . . . . 1.99 109.931 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 78' ' ' VAL . 57.7 t80 -71.96 -21.13 61.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.953 -0.567 . . . . 1.92 109.552 172.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.588 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.6 OUTLIER -66.59 -44.12 90.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 0.67 109.202 177.33 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.542 ' O ' HD13 ' B' ' 80' ' ' ILE . 0.9 OUTLIER -65.85 -31.94 73.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.743 -0.662 . . . . 0.74 110.49 173.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.2 tm? -57.5 -45.26 85.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.92 -0.4 . . . . 1.14 109.92 176.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 74' ' ' PHE . 13.3 t -67.32 -29.08 44.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.153 -0.476 . . . . 0.33 109.978 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.56 -44.5 96.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.357 0.598 . . . . 0.43 109.689 174.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.542 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -58.67 -47.81 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.234 -0.894 . . . . 0.4 109.942 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.723 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -70.3 -33.69 71.85 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.003 -0.999 . . . . 0.28 112.465 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 80.1 mt -66.74 -41.45 87.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.752 0.311 . . . . 0.33 110.711 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.355 -0.938 . . . . 1.67 110.401 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.593 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -54.51 -26.0 28.96 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.79 -0.364 . . . . 0.48 111.026 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.04 -53.04 6.11 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.173 0.435 . . . . 0.57 112.173 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' B' ' 88' ' ' HIS . 28.6 t-80 -82.84 -58.81 2.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.208 0.528 . . . . 2.68 110.833 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.509 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.5 t80 -75.13 22.85 0.11 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.186 0.994 . . . . 1.8 110.518 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.5 p-80 -49.31 13.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.317 1.599 . . . . 3.27 115.317 -177.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.9 t -74.67 -38.6 62.38 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.313 -0.995 . . . . 1.27 108.313 174.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 CA--C 1.517 -0.305 0 CA-C-N 114.531 -1.213 . . . . 3.47 109.034 175.344 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.596 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.7 pt-20 . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 113.289 0.848 . . . . 3.1 113.289 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -33.15 72.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.297 0.57 . . . . 2.51 110.178 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.536 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 63.9 m-70 -82.99 -30.94 27.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.792 -0.64 . . . . 2.16 110.594 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.598 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 87.6 mt -74.0 -60.6 2.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.166 0.508 . . . . 0.34 110.78 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.06 -22.18 65.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.577 -0.738 . . . . 2.41 109.128 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.717 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -62.52 -46.93 92.77 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.638 -0.71 . . . . 0.44 111.687 172.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.607 HG21 HG21 ' A' ' 78' ' ' VAL . 22.4 mm -62.48 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.217 0.532 . . . . 1.16 110.01 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.515 ' CG1' ' HB2' ' B' ' 86' ' ' HIS . 33.9 t -49.92 -42.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.232 -0.894 . . . . 0.57 111.101 171.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -78.73 -18.03 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.684 . . . . 1.42 111.196 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.717 HG12 ' O ' ' A' ' 10' ' ' GLY . 48.6 mm -74.7 -36.56 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.066 0.46 . . . . 2.06 109.876 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -64.63 -37.37 87.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.272 -1.01 . . . . 2.57 108.272 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -69.98 -20.47 63.3 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.76 -1.109 . . . . 2.23 110.765 174.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.509 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 29.7 tt0 . . . . . 0 C--N 1.326 -0.414 0 N-CA-C 109.699 -0.482 . . . . 2.77 109.699 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.235 0.321 0 CA-C-O 121.679 0.752 . . . . 2.91 112.182 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 p -104.88 -178.8 3.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.552 -0.749 . . . . 1.35 111.078 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 3.0 ttmp? -48.85 -20.04 0.45 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.527 1.306 . . . . 1.32 114.527 -166.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.52 -42.11 26.41 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 114.474 0.55 . . . . 0.4 114.474 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -42.34 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.065 0.432 . . . . 2.44 111.565 -173.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.501 HD11 ' HG ' ' A' ' 77' ' ' LEU . 14.5 tp -58.87 -42.43 89.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.389 -0.597 . . . . 0.52 109.389 175.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HA ' HD13 ' A' ' 54' ' ' ILE . 27.8 ttpp -56.48 -46.19 80.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.015 -0.993 . . . . 1.87 110.658 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.614 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 35.1 mt-30 -63.56 -61.77 2.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.509 -0.314 . . . . 2.46 110.784 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.652 HD11 HG22 ' A' ' 14' ' ' ILE . 10.5 tt -48.31 -50.11 31.42 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.586 0.554 . . . . 0.45 111.084 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.1 mt -65.68 -47.26 76.06 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.378 0.51 . . . . 0.45 112.378 -175.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 49' ' ' LYS . 34.7 p -67.64 -30.14 69.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.719 0.266 . . . . 1.23 111.719 -175.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.7 ptmm? -96.59 -37.94 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.326 0.491 . . . . 1.61 112.326 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 13.5 mm-40 -94.47 -36.09 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 1.67 111.214 -170.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.507 HD13 HD11 ' B' ' 8' ' ' LEU . 26.4 mt -116.94 29.43 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.373 0.606 . . . . 1.42 109.632 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.1 -34.78 45.61 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.529 -1.214 . . . . 0.78 113.254 -176.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -99.0 -10.78 22.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.783 0.325 . . . . 2.16 111.488 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.616 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -91.19 -65.88 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.593 0.711 . . . . 0.66 110.513 -168.329 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.4 mt -73.32 132.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 114.668 -1.151 . . . . 0.6 109.227 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 125.84 25.26 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 123.139 0.274 . . . . 1.61 110.583 -174.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.4 ' HB2' HG21 ' A' ' 53' ' ' VAL . 2.1 m-20 47.84 39.99 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.659 -0.701 . . . . 1.48 110.911 176.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.5 tp -60.94 -9.46 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.76 0.791 . . . . 0.55 111.073 -176.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.7 mmmm -81.14 -7.89 59.65 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.192 -0.913 . . . . 1.11 110.522 -178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 54' ' ' ILE . 3.1 t70 -95.59 132.47 40.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.825 -0.625 . . . . 1.58 110.185 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -22.34 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 0.92 110.051 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.27 -32.8 73.23 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.634 0.73 . . . . 0.67 109.067 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.6 t -80.61 -46.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.561 -1.2 . . . . 0.6 109.659 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 34' ' ' LYS . 47.5 mt -58.18 -36.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 0.42 110.812 175.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -62.79 -52.87 61.51 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 115.543 -0.753 . . . . 1.53 109.135 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 41.9 mm-40 -47.62 -47.43 29.0 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.381 -0.827 . . . . 1.77 111.555 176.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.45 -59.22 4.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.935 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 27.4 t80 -59.56 -44.74 93.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.18 -0.463 . . . . 1.68 110.52 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.11 -26.4 68.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.37 -0.832 . . . . 1.92 110.24 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.7 63.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.53 112.266 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.625 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mt -87.61 -46.89 9.14 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.897 -0.779 . . . . 0.58 108.897 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.96 73.78 1.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.683 -1.144 . . . . 1.4 110.514 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.13 63.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.083 -0.962 . . . . 1.3 110.682 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -73.37 -19.68 60.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.65 -0.704 . . . . 2.8 110.286 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 61.61 38.6 15.31 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 114.89 -1.05 . . . . 2.72 111.717 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -118.05 8.1 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.292 0.568 . . . . 2.13 110.183 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 67.88 44.17 1.6 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.959 -1.019 . . . . 2.02 110.906 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -137.16 118.01 14.15 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.938 0.399 . . . . 2.16 110.957 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 p -91.58 108.88 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.285 0.564 . . . . 1.81 111.23 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.612 ' HB2' ' OE1' ' A' ' 73' ' ' GLU . 4.7 m-20 -81.98 179.14 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.801 -0.562 . . . . 2.02 109.755 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -60.37 -32.55 71.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.714 -0.394 . . . . 2.17 110.324 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.449 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.7 tt0 -70.01 -43.11 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 1.66 111.067 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 61' ' ' LEU . 3.7 mp0 -63.48 -41.41 98.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 1.99 109.524 175.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.2 t80 -65.75 -28.67 69.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.73 . . . . 1.92 110.159 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.536 HG12 ' HB2' ' B' ' 82' ' ' LEU . 1.3 mt -65.17 -39.05 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 0.67 109.255 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD13 ' A' ' 80' ' ' ILE . 27.8 m -64.19 -40.53 96.27 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.876 -1.056 . . . . 0.74 109.673 176.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.511 HD23 ' CG2' ' A' ' 57' ' ' ILE . 1.4 tm? -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 1.15 110.378 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.666 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 21.9 t -62.81 -33.45 60.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 0.33 109.941 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -62.45 -48.25 80.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.0 -0.545 . . . . 0.43 110.175 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.06 -43.84 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.358 -0.837 . . . . 0.4 110.364 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -73.82 -30.25 62.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.197 -0.91 . . . . 0.28 111.923 -174.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 48.5 mt -64.43 -42.89 95.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.124 0.488 . . . . 0.33 109.69 173.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -61.07 -46.67 89.72 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 115.618 -0.719 . . . . 1.67 109.568 173.31 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.46 -22.35 54.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.0 -0.545 . . . . 0.48 111.919 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -81.06 -59.87 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.306 0.484 . . . . 0.57 112.306 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.521 ' HB2' ' CG1' ' B' ' 12' ' ' VAL . 78.5 t60 -86.29 -36.35 19.37 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.138 0.494 . . . . 2.68 111.26 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.557 ' C ' ' H ' ' A' ' 89' ' ' THR . 35.7 t80 -86.02 23.44 1.5 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.44 -0.8 . . . . 1.8 108.987 174.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.65 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 16.8 t-80 -46.61 19.2 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 126.651 1.981 . . . . 3.26 115.2 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.557 ' H ' ' C ' ' A' ' 87' ' ' TYR . 11.6 t -93.84 21.14 6.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.691 -0.855 . . . . 1.26 108.691 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 89' ' ' THR . 16.5 m170 . . . . . 0 CA--C 1.507 -0.709 0 CA-C-N 114.039 -1.437 . . . . 3.47 108.862 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.616 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.7 pt-20 . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 113.193 0.812 . . . . 3.1 113.193 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -33.25 73.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.477 0.656 . . . . 2.51 110.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.542 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 63.6 m-70 -82.94 -31.0 27.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.803 -0.635 . . . . 2.16 110.604 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.595 HD13 ' HB1' ' A' ' 81' ' ' ALA . 87.5 mt -73.9 -60.68 2.14 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.08 0.467 . . . . 0.34 110.725 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.99 -22.36 65.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.532 -0.758 . . . . 2.41 109.133 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.698 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -62.19 -47.22 91.24 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.551 -0.75 . . . . 0.44 111.59 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.601 HG21 HG21 ' B' ' 78' ' ' VAL . 22.5 mm -62.29 -45.42 98.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.235 0.54 . . . . 1.16 110.043 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.521 ' CG1' ' HB2' ' A' ' 86' ' ' HIS . 34.7 t -50.06 -42.53 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.162 -0.927 . . . . 0.57 111.18 171.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.75 -17.95 55.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 1.42 111.327 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.698 HG12 ' O ' ' B' ' 10' ' ' GLY . 48.8 mm -74.74 -36.74 41.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.119 0.485 . . . . 2.06 109.867 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.5 -37.62 88.18 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.238 -1.023 . . . . 2.58 108.238 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -69.76 -20.59 63.49 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.651 -1.159 . . . . 2.23 110.887 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.505 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 29.8 tt0 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 109.608 -0.516 . . . . 2.77 109.608 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 121.739 0.78 . . . . 2.91 112.204 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -104.9 -178.79 3.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.522 -0.763 . . . . 1.35 111.098 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 3.0 ttmp? -48.66 -20.12 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.575 1.324 . . . . 1.32 114.575 -166.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.63 -42.2 27.39 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 114.403 0.521 . . . . 0.4 114.403 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -42.21 18.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.011 0.405 . . . . 2.43 111.551 -173.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.5 tp -58.89 -42.28 89.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.317 0.58 . . . . 0.52 109.487 174.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.478 ' HA ' HD13 ' B' ' 54' ' ' ILE . 27.7 ttpp -56.72 -46.07 81.52 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.077 -0.965 . . . . 1.87 110.755 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.631 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 35.2 mt-30 -63.61 -61.71 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.428 -0.351 . . . . 2.45 110.686 174.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.661 HD11 HG22 ' B' ' 14' ' ' ILE . 10.5 tt -48.31 -50.22 30.96 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.634 0.584 . . . . 0.45 111.121 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 80.6 mt -65.52 -47.34 76.27 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.442 0.534 . . . . 0.45 112.442 -175.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.471 HG22 ' HA ' ' B' ' 49' ' ' LYS . 35.1 p -67.69 -29.87 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.796 0.295 . . . . 1.23 111.796 -175.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.6 ptmm? -96.75 -37.94 10.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.347 0.499 . . . . 1.62 112.347 -177.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.443 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 14.4 mm-40 -94.52 -35.99 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.923 0.392 . . . . 1.67 111.16 -170.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.505 HD13 HD11 ' A' ' 8' ' ' LEU . 26.4 mt -116.83 29.37 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.505 0.669 . . . . 1.42 109.717 -176.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.21 -34.24 44.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.48 -1.237 . . . . 0.78 113.311 -176.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -99.3 -10.99 21.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.739 0.304 . . . . 2.16 111.585 -173.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.596 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -91.02 -65.83 0.98 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.553 0.692 . . . . 0.66 110.5 -168.075 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -73.39 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 114.602 -1.181 . . . . 0.6 109.171 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.404 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -59.28 126.0 25.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 123.147 0.279 . . . . 1.61 110.586 -174.238 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 47.82 40.02 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.612 -0.722 . . . . 1.48 110.948 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.5 tp -61.01 -9.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.887 0.851 . . . . 0.56 111.063 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.471 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.7 mmmm -81.16 -7.98 59.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.145 -0.934 . . . . 1.11 110.333 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.444 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.8 t70 -95.46 132.33 40.65 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.912 -0.585 . . . . 1.59 110.235 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -22.71 65.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.918 -0.583 . . . . 0.92 109.943 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.26 -32.55 72.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.742 0.782 . . . . 0.67 109.125 175.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.476 ' O ' HD13 ' B' ' 57' ' ' ILE . 21.5 t -80.62 -46.73 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.684 -1.143 . . . . 0.6 109.647 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' B' ' 34' ' ' LYS . 47.7 mt -57.88 -36.4 55.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.685 -0.689 . . . . 0.42 110.852 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.8 -52.88 61.45 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.438 -0.801 . . . . 1.53 109.134 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -47.73 -47.51 30.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.329 -0.85 . . . . 1.77 111.492 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.608 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -65.33 -59.09 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.95 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 27.3 t80 -59.6 -44.78 93.28 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.072 0.463 . . . . 1.67 110.557 -172.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.02 -26.4 68.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.331 -0.849 . . . . 1.91 110.217 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -26.71 63.56 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.957 -0.64 . . . . 0.53 112.192 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' B' ' 73' ' ' GLU . 1.1 mt -87.61 -46.68 9.33 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.948 -0.76 . . . . 0.59 108.948 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.25 74.14 1.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.637 -1.165 . . . . 1.4 110.547 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.16 -21.49 63.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.146 -0.934 . . . . 1.31 110.679 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -73.0 -19.82 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 2.8 110.288 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 61.78 38.34 14.96 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 114.985 -1.007 . . . . 2.72 111.82 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -117.83 7.62 12.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.341 0.591 . . . . 2.14 110.161 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 68.33 44.12 1.39 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.055 -0.975 . . . . 2.01 110.829 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -137.06 118.13 14.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.806 0.336 . . . . 2.16 110.821 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.61 109.0 20.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.267 0.556 . . . . 1.81 111.168 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.627 ' HB2' ' OE1' ' B' ' 73' ' ' GLU . 4.9 m-20 -81.95 179.14 7.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.846 -0.533 . . . . 2.02 109.827 172.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -60.33 -32.51 71.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.671 -0.412 . . . . 2.18 110.378 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.457 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.4 tt0 -70.24 -42.9 71.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 1.67 110.97 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' B' ' 61' ' ' LEU . 3.3 mp0 -63.6 -41.54 98.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.329 0.585 . . . . 1.99 109.527 175.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.531 ' O ' HG23 ' B' ' 78' ' ' VAL . 79.2 t80 -65.67 -28.67 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.529 -0.759 . . . . 1.92 110.199 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.526 HG12 ' HB2' ' A' ' 82' ' ' LEU . 1.3 mt -65.17 -39.15 84.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.473 -0.785 . . . . 0.67 109.361 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.557 ' O ' HD13 ' B' ' 80' ' ' ILE . 25.5 m -63.95 -40.59 96.77 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.792 -1.095 . . . . 0.74 109.664 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.508 HD23 ' CG2' ' B' ' 57' ' ' ILE . 1.4 tm? -57.12 -45.97 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.14 110.329 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.663 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.0 t -62.83 -33.41 60.1 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.884 -0.413 . . . . 0.33 109.884 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.52 -48.04 81.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.257 0.551 . . . . 0.43 110.132 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.557 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.23 -43.9 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.371 -0.831 . . . . 0.4 110.287 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.598 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -73.82 -30.2 62.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.216 -0.902 . . . . 0.28 111.918 -174.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 47.6 mt -64.54 -42.8 95.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.575 -0.528 . . . . 0.33 109.575 173.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.0 OUTLIER -61.06 -46.71 89.56 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.665 -0.698 . . . . 1.67 109.537 173.314 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.45 -22.24 53.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.988 -0.551 . . . . 0.48 111.995 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -81.16 -59.64 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.378 0.51 . . . . 0.57 112.378 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.515 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 78.4 t60 -86.52 -36.32 19.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.417 0.627 . . . . 2.68 111.349 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.557 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.7 t80 -86.03 23.57 1.47 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.45 -0.795 . . . . 1.8 108.989 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' HIS . . . . . 0.624 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 16.7 t-80 -46.78 19.31 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 126.682 1.993 . . . . 3.27 115.208 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.557 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.6 t -94.06 21.29 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.807 -0.812 . . . . 1.27 108.807 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' B' ' 89' ' ' THR . 16.5 m170 . . . . . 0 CA--C 1.507 -0.703 0 CA-C-N 113.877 -1.51 . . . . 3.47 108.88 -175.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.315 0.579 . . . . 3.1 111.37 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -65.63 -18.37 65.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.343 -0.844 . . . . 2.51 109.647 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.57 ' O ' HG13 ' A' ' 11' ' ' ILE . 55.7 m-70 -62.82 -57.86 9.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.805 -0.813 . . . . 2.16 108.805 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.678 HD13 ' HB1' ' B' ' 81' ' ' ALA . 31.1 mt -74.54 -56.05 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.843 -1.072 . . . . 0.34 111.256 -175.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.03 -21.99 66.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 2.41 110.612 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.5 -40.67 53.7 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.86 -0.686 . . . . 0.44 111.757 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 7' ' ' HIS . 76.2 mt -69.1 -37.98 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.497 0.665 . . . . 1.16 110.028 177.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' B' ' 85' ' ' ALA . 74.2 t -66.91 -35.68 75.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.541 -0.754 . . . . 0.57 110.607 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.68 -40.83 69.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 1.42 111.284 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 11' ' ' ILE . 33.6 pt -66.77 -29.1 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.265 -0.574 . . . . 2.06 110.497 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.53 -35.36 78.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.222 -0.659 . . . . 2.57 109.222 174.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -66.98 -21.42 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.636 -0.711 . . . . 2.23 110.773 174.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.415 -0.357 . . . . 2.77 111.299 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB2' ' OE1' ' A' ' 32' ' ' GLU . 90.8 mt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 112.635 0.606 . . . . 2.91 112.635 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -94.74 -170.89 2.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.367 0.877 . . . . 1.35 113.367 -166.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 10.5 ttmm -47.41 -37.97 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.793 1.035 . . . . 1.32 113.793 -172.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.29 -57.77 4.82 Favored Glycine 0 N--CA 1.465 0.615 0 N-CA-C 114.975 0.75 . . . . 0.4 114.975 -172.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE1' ' HB2' ' A' ' 28' ' ' LEU . 2.8 pt-20 -65.14 -36.23 83.6 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.461 0.541 . . . . 2.44 112.461 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.571 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 18.1 tp -66.02 -45.03 82.99 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.783 -0.821 . . . . 0.52 108.783 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HA ' HD13 ' A' ' 54' ' ' ILE . 13.1 tmtt? -57.72 -44.85 86.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.662 -1.154 . . . . 1.87 110.449 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 36.5 tt0 -55.03 -59.02 5.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.978 -0.555 . . . . 2.46 110.171 174.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 9.8 tt -49.6 -60.46 2.84 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.943 -0.571 . . . . 0.45 110.206 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.1 mt -53.24 -47.62 68.89 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 113.319 0.859 . . . . 0.45 113.319 -173.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 49' ' ' LYS . 21.1 p -66.6 -38.18 86.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.05 0.389 . . . . 1.23 112.05 -173.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.3 ptmt -97.73 -22.9 16.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.422 0.897 . . . . 1.61 113.422 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 42.0 tp10 -102.93 -35.49 8.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.84 0.352 . . . . 1.67 111.033 -170.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD22 ' CD1' ' B' ' 8' ' ' LEU . 35.1 mt -120.0 30.25 7.11 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.574 0.702 . . . . 1.42 109.396 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.06 -36.37 50.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.387 -1.279 . . . . 0.78 113.44 -174.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -118.61 33.91 5.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.443 0.64 . . . . 2.16 110.626 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.541 HG21 HD12 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -113.58 -61.65 1.71 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.747 0.784 . . . . 0.66 109.581 175.353 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.562 HG21 HD11 ' A' ' 57' ' ' ILE . 23.4 mt -85.72 137.54 20.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.492 -1.231 . . . . 0.6 109.73 -175.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.31 126.08 23.48 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.545 0.212 . . . . 1.61 110.44 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.492 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 43.26 44.33 4.52 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.506 -0.77 . . . . 1.48 112.187 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.561 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -62.01 -6.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.924 0.868 . . . . 0.55 110.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.7 OUTLIER -84.53 -10.64 57.25 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.201 -0.909 . . . . 1.11 110.173 179.575 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.1 m-20 -90.85 128.7 36.83 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.615 -0.72 . . . . 1.58 111.206 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.05 -29.58 70.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.929 -1.032 . . . . 0.92 110.226 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.37 -36.69 83.52 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.581 -0.736 . . . . 0.67 109.165 177.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 32.1 t -74.71 -43.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.523 -1.217 . . . . 0.6 109.673 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 50' ' ' ASP . 29.3 mt -65.2 -36.7 78.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 114.911 -1.04 . . . . 0.42 110.873 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 34.3 t70 -64.32 -49.89 69.97 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.557 -0.747 . . . . 1.53 109.333 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.4 mm-40 -47.3 -47.13 25.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.882 -1.054 . . . . 1.77 111.048 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.562 HD11 HG21 ' A' ' 45' ' ' ILE . 86.8 mt -70.09 -53.87 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.397 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 17.2 t80 -55.39 -47.65 75.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.68 110.235 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 60.5 mm-40 -60.93 -31.05 70.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 1.92 109.987 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.49 -25.6 75.34 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.737 -0.665 . . . . 0.53 112.287 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -88.2 -50.43 6.37 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.727 -0.842 . . . . 0.58 108.727 177.728 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.56 73.92 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.625 -1.17 . . . . 1.4 110.83 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.03 -16.67 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.464 -0.789 . . . . 1.3 109.582 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -73.54 -18.69 61.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.989 -1.005 . . . . 2.8 110.298 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 61.42 37.96 16.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.754 -1.112 . . . . 2.72 111.444 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -109.92 -3.04 16.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.54 0.686 . . . . 2.13 109.893 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 61.64 47.38 6.45 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.721 -1.127 . . . . 2.02 110.133 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 68' ' ' GLN . 9.7 pt20 -142.82 118.73 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.671 -0.695 . . . . 2.16 110.084 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.06 106.52 12.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.39 0.614 . . . . 1.81 110.404 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.512 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 4.9 m-20 -77.64 174.52 10.83 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.318 -0.623 . . . . 2.02 109.318 172.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -62.65 -32.22 73.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.386 -0.526 . . . . 2.17 110.012 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.519 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.3 tt0 -69.92 -40.9 75.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 1.66 110.895 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 70' ' ' ASP . 3.9 mm-40 -68.85 -33.95 74.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.563 0.697 . . . . 1.99 109.343 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 78' ' ' VAL . 70.9 t80 -69.8 -24.08 63.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.542 -0.754 . . . . 1.92 109.933 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.569 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.2 mt -67.86 -42.17 85.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.751 -0.659 . . . . 0.67 109.679 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.3 -28.61 66.41 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.105 -0.498 . . . . 0.74 110.394 174.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.539 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.1 tm? -58.74 -45.63 89.25 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.724 -0.472 . . . . 1.15 109.724 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.0 t -66.28 -32.0 56.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.927 -0.579 . . . . 0.33 110.073 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.52 98.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.394 0.616 . . . . 0.43 109.912 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.87 -45.59 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.119 -0.946 . . . . 0.4 110.237 174.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.63 -22.91 50.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 0.28 112.31 -173.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 62.6 mt -67.7 -39.94 84.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.336 0.589 . . . . 0.33 109.594 173.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 9.4 mttt -75.53 -19.85 59.08 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.764 -0.653 . . . . 1.67 110.541 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -68.9 -24.88 64.36 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.864 -0.421 . . . . 0.48 109.864 169.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.44 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -84.18 -55.13 4.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 0.57 111.391 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -75.78 -56.12 4.98 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.16 0.505 . . . . 2.68 111.313 -178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.518 ' HB2' ' HG2' ' A' ' 83' ' ' LYS . 2.7 t80 -83.51 22.32 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 1.8 109.956 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -45.87 -2.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.007 1.323 . . . . 3.26 113.806 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 87' ' ' TYR . 8.6 t -69.89 -30.04 67.39 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.512 -0.922 . . . . 1.26 108.512 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.514 -0.424 0 C-N-CA 125.37 1.468 . . . . 3.47 108.449 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.333 0.587 . . . . 3.1 111.172 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.7 -18.28 65.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.312 -0.858 . . . . 2.51 109.671 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.554 ' O ' HG13 ' B' ' 11' ' ' ILE . 55.9 m-70 -62.91 -57.9 9.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.817 -0.808 . . . . 2.16 108.817 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.666 HD13 ' HB1' ' A' ' 81' ' ' ALA . 31.0 mt -74.34 -56.09 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.8 -1.091 . . . . 0.34 111.222 -175.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.1 -22.18 66.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.858 0.361 . . . . 2.41 110.629 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.24 -40.75 55.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.987 -0.625 . . . . 0.44 111.764 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 7' ' ' HIS . 76.3 mt -69.25 -38.07 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.472 0.653 . . . . 1.16 109.992 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.44 HG21 ' HB3' ' A' ' 85' ' ' ALA . 73.6 t -66.7 -35.92 75.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.693 -0.685 . . . . 0.57 110.575 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -71.62 -40.79 69.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 1.42 111.267 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 pt -66.88 -28.94 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.217 -0.593 . . . . 2.06 110.516 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.6 -35.29 78.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.185 -0.672 . . . . 2.58 109.185 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -67.07 -21.38 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.642 -0.708 . . . . 2.23 110.722 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.383 -0.371 . . . . 2.77 111.307 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' OE1' ' B' ' 32' ' ' GLU . 91.1 mt . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 112.587 0.588 . . . . 2.91 112.587 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.9 m -95.35 -171.31 2.36 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.218 0.821 . . . . 1.35 113.218 -166.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.501 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 10.5 ttmm -47.05 -38.06 10.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.744 1.016 . . . . 1.32 113.744 -172.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.67 4.78 Favored Glycine 0 N--CA 1.466 0.648 0 N-CA-C 114.877 0.711 . . . . 0.4 114.877 -172.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.486 ' OE1' ' HB2' ' B' ' 28' ' ' LEU . 2.7 pt-20 -65.36 -36.35 83.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.493 0.553 . . . . 2.43 112.493 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.57 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 18.0 tp -65.76 -45.22 83.37 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.817 -0.808 . . . . 0.52 108.817 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.401 ' HG2' ' CD1' ' B' ' 54' ' ' ILE . 13.1 tmtt? -57.59 -44.63 85.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.654 -1.157 . . . . 1.87 110.578 178.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 36.2 tt0 -55.23 -59.09 5.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.018 -0.537 . . . . 2.45 110.105 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' B' ' 40' ' ' GLU . 9.8 tt -49.39 -60.65 2.65 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 123.656 0.598 . . . . 0.45 110.17 178.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.2 mt -53.06 -47.72 68.23 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 113.389 0.885 . . . . 0.45 113.389 -173.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.45 HG22 ' HA ' ' B' ' 49' ' ' LYS . 20.2 p -66.58 -38.32 86.8 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 1.23 112.062 -173.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.2 ptmt -97.52 -23.19 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.295 0.85 . . . . 1.62 113.295 -176.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' B' ' 36' ' ' LEU . 41.4 tp10 -102.6 -35.42 8.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.736 0.303 . . . . 1.67 111.04 -170.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 8' ' ' LEU . 35.4 mt -120.1 30.32 7.06 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.495 0.665 . . . . 1.42 109.4 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.32 -35.86 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.376 -1.284 . . . . 0.78 113.544 -174.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -118.92 34.11 5.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.392 0.615 . . . . 2.16 110.597 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.527 HG21 HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -113.75 -61.83 1.68 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.728 0.775 . . . . 0.66 109.628 175.294 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 23.6 mt -85.71 137.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.408 -1.269 . . . . 0.6 109.773 -175.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.484 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -55.2 126.29 24.2 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.129 0.268 . . . . 1.61 110.484 -178.702 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.484 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.7 m-20 42.88 44.55 3.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 124.028 0.83 . . . . 1.48 112.22 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -62.13 -6.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.922 0.868 . . . . 0.56 110.84 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.45 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.29 -10.82 57.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.148 -0.933 . . . . 1.11 110.136 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.492 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.1 m-20 -90.9 128.81 36.9 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.684 -0.689 . . . . 1.59 111.104 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.14 -29.48 70.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.982 -1.008 . . . . 0.92 110.135 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.72 -36.15 81.79 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.592 -0.731 . . . . 0.67 109.209 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.408 HG11 ' O ' ' B' ' 46' ' ' LYS . 32.0 t -75.14 -43.54 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.54 -1.209 . . . . 0.6 109.652 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 50' ' ' ASP . 29.9 mt -65.42 -36.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 0.42 110.861 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 35.9 t70 -64.42 -49.84 69.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.601 -0.727 . . . . 1.53 109.347 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 15.9 mm-40 -47.54 -46.78 28.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.919 -1.037 . . . . 1.77 111.114 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.555 HD11 HG21 ' B' ' 45' ' ' ILE . 86.6 mt -70.37 -53.72 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.378 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 16.9 t80 -55.6 -47.34 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 1.67 110.283 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 60.5 mm-40 -61.09 -31.21 70.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 1.91 109.927 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.06 -26.21 74.85 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.627 -0.715 . . . . 0.53 112.159 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.6 OUTLIER -87.8 -50.8 6.23 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.744 -0.836 . . . . 0.59 108.744 177.853 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.46 74.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.7 -1.136 . . . . 1.4 110.82 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.32 -16.56 59.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.474 -0.785 . . . . 1.31 109.513 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.42 -18.45 61.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.985 -1.007 . . . . 2.8 110.3 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 60.84 38.7 17.75 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.787 -1.097 . . . . 2.72 111.446 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -110.52 -2.91 16.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.447 0.642 . . . . 2.14 109.938 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 61.22 47.56 6.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 114.716 -1.129 . . . . 2.01 110.236 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 9.7 pt20 -142.94 118.63 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.617 -0.72 . . . . 2.16 110.136 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.27 106.53 12.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.551 0.691 . . . . 1.81 110.504 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' B' ' 73' ' ' GLU . 5.3 m-20 -77.61 174.46 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.248 -0.649 . . . . 2.02 109.248 172.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -62.74 -32.3 73.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.446 -0.501 . . . . 2.18 110.007 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.5 tt0 -69.62 -41.08 76.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.574 . . . . 1.67 111.104 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' B' ' 70' ' ' ASP . 3.9 mm-40 -68.86 -33.78 74.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.642 0.734 . . . . 1.99 109.372 177.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.5 t80 -69.76 -24.1 63.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.644 -0.707 . . . . 1.92 110.043 174.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.2 mt -67.94 -42.02 85.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 0.67 109.681 176.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.626 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.1 p -69.28 -28.68 66.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.151 -0.477 . . . . 0.74 110.345 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.543 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.1 tm? -58.86 -45.52 89.93 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.719 -0.474 . . . . 1.14 109.719 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.555 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 40.1 t -66.16 -32.37 57.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.966 -0.561 . . . . 0.33 110.03 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.68 98.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.499 0.666 . . . . 0.43 109.977 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.69 -45.62 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.119 -0.946 . . . . 0.4 110.22 174.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.678 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.84 -22.7 49.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.568 -0.742 . . . . 0.28 112.353 -173.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 63.5 mt -67.89 -39.87 83.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 0.33 109.624 173.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 9.3 mttt -75.47 -19.93 59.11 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.705 -0.68 . . . . 1.67 110.429 174.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -69.02 -24.78 64.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.021 0.438 . . . . 0.48 109.834 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -84.16 -55.2 4.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.57 111.305 175.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -75.84 -55.92 5.17 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.298 0.571 . . . . 2.68 111.314 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.505 ' HB2' ' HG2' ' B' ' 83' ' ' LYS . 2.7 t80 -83.59 22.34 1.09 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.64 -0.709 . . . . 1.8 109.905 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -45.76 -3.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.0 1.32 . . . . 3.27 113.779 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.497 ' H ' ' C ' ' B' ' 87' ' ' TYR . 8.7 t -69.98 -29.82 67.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.619 -0.882 . . . . 1.27 108.619 177.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.514 -0.412 0 C-N-CA 125.427 1.491 . . . . 3.47 108.568 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.441 0.639 . . . . 3.1 109.772 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.89 -20.35 56.75 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.037 -0.983 . . . . 2.51 110.218 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.559 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 81.6 m-70 -72.81 -43.07 63.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.851 -0.425 . . . . 2.16 109.851 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.86 HD13 ' HB1' ' B' ' 81' ' ' ALA . 83.9 mt -68.41 -60.78 2.19 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.93 0.395 . . . . 0.34 110.753 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.16 -22.64 66.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 2.41 110.65 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.616 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -71.73 -38.27 61.05 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.638 -0.71 . . . . 0.44 112.181 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' HIS . 71.9 mt -66.8 -38.68 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.075 -0.713 . . . . 1.16 109.075 174.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.94 -33.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.915 -1.039 . . . . 0.57 110.22 172.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.28 -34.89 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 1.42 111.074 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 10' ' ' GLY . 22.8 mt -68.11 -38.71 80.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.235 0.54 . . . . 2.06 109.551 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -59.03 -47.64 84.48 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.724 -0.843 . . . . 2.57 108.724 171.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.13 -23.84 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.774 -1.103 . . . . 2.23 110.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? . . . . . 0 N--CA 1.454 -0.25 0 CA-C-N 116.441 -0.345 . . . . 2.77 110.622 -179.891 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 121.509 0.671 . . . . 2.91 111.361 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -81.15 -170.52 2.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.522 -0.763 . . . . 1.35 111.441 -176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HD2' ' CE ' ' A' ' 51' ' ' LYS . 16.7 ttmt -54.24 -31.96 54.72 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.559 -0.291 . . . . 1.32 111.729 -172.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.567 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -57.7 -45.03 93.81 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.198 -0.525 . . . . 0.4 113.148 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -67.92 -44.03 77.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.399 0.619 . . . . 2.44 110.155 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.1 tp -64.43 -43.02 95.63 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.101 -0.954 . . . . 0.52 110.004 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 1.5 pptp? -64.73 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 1.87 110.329 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.714 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 38.5 mt-30 -61.55 -63.78 1.16 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.468 -0.567 . . . . 2.46 109.468 172.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' CD1' HG22 ' A' ' 14' ' ' ILE . 9.9 tt -48.77 -48.25 41.12 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.91 0.756 . . . . 0.45 110.745 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.2 mt -63.77 -53.37 52.08 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.097 0.777 . . . . 0.45 113.097 -174.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 49' ' ' LYS . 36.3 p -66.28 -32.56 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.951 0.352 . . . . 1.23 111.951 -173.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.9 ptmm? -96.29 -35.54 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 1.61 112.673 -175.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -95.79 -43.56 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.125 0.488 . . . . 1.67 110.907 -171.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD22 HD11 ' B' ' 8' ' ' LEU . 13.6 mt -105.41 26.56 9.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 1.42 109.659 -174.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.76 -38.87 23.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 114.528 -1.214 . . . . 0.78 113.411 -175.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -115.23 18.83 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.495 -0.482 . . . . 2.16 111.326 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.414 HG21 ' CD1' ' B' ' 8' ' ' LEU . 1.6 m -103.2 -54.23 2.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.434 0.635 . . . . 0.66 110.1 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 57' ' ' ILE . 54.0 mt -92.11 143.85 10.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.185 -0.916 . . . . 0.6 109.814 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -60.68 123.78 18.46 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.183 -0.302 . . . . 1.61 110.183 -176.312 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.488 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 42.85 45.06 4.14 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.518 -0.765 . . . . 1.48 111.859 177.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.0 tp -60.6 -4.99 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 0.55 111.257 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.517 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.1 OUTLIER -82.95 -16.93 45.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.194 -0.912 . . . . 1.11 110.084 -179.458 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' HG13 ' A' ' 54' ' ' ILE . 7.3 m-20 -84.83 128.52 34.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.335 -0.848 . . . . 1.58 111.366 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.546 ' CE ' ' HD2' ' A' ' 30' ' ' LYS . 23.0 tptm -63.48 -25.55 68.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.162 -0.926 . . . . 0.92 110.247 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.7 -37.32 73.57 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.409 0.623 . . . . 0.67 109.322 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG22 ' HE3' ' A' ' 46' ' ' LYS . 26.2 t -71.82 -43.24 69.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.823 -1.08 . . . . 0.6 109.077 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 34' ' ' LYS . 54.0 mt -64.57 -35.84 75.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 114.719 -1.128 . . . . 0.42 111.356 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.6 t70 -63.84 -51.65 63.7 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.902 -0.777 . . . . 1.53 108.902 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.9 mm-40 -48.87 -44.31 39.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.613 -1.176 . . . . 1.77 111.345 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 72.7 mt -70.99 -57.65 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.412 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 80.2 t80 -52.93 -47.15 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 1.68 110.788 -178.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 83.4 mm-40 -66.79 -26.88 67.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.5 -0.773 . . . . 1.92 110.454 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.68 -32.07 54.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.014 -0.613 . . . . 0.53 112.701 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -82.67 -40.23 20.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.19 -0.671 . . . . 0.58 109.19 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -76.24 73.01 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.199 -0.91 . . . . 1.4 110.746 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.21 62.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.218 -0.901 . . . . 1.3 109.891 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -20.21 56.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.038 -0.983 . . . . 2.8 110.295 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.35 35.55 20.61 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.852 -1.067 . . . . 2.72 110.863 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -119.72 8.58 11.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 2.13 111.231 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 40.7 tt0 64.9 49.11 2.21 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.424 0.631 . . . . 2.02 110.41 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.37 119.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.137 0.494 . . . . 2.16 111.824 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -88.63 107.45 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.06 -0.518 . . . . 1.81 110.631 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.506 ' H ' ' CG ' ' A' ' 73' ' ' GLU . 6.3 t70 -94.71 -173.61 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.145 -1.057 . . . . 2.02 108.145 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -61.75 -42.49 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.196 0.453 . . . . 2.17 111.592 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -70.79 -40.91 72.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.355 0.598 . . . . 1.66 110.383 -178.109 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.6 mm-40 -60.99 -39.59 90.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.475 -0.935 . . . . 1.99 108.475 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 78' ' ' VAL . 63.3 t80 -67.72 -28.58 67.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.42 -0.809 . . . . 1.92 110.58 175.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.571 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.8 OUTLIER -65.85 -37.2 79.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.623 -0.717 . . . . 0.67 109.235 176.109 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' HD13 ' A' ' 80' ' ' ILE . 29.1 m -63.0 -39.89 96.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.361 -0.836 . . . . 0.74 109.304 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD23 HG21 ' A' ' 57' ' ' ILE . 1.9 tm? -58.89 -43.36 90.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 1.15 110.158 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -66.16 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.935 -0.394 . . . . 0.33 109.935 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.89 -50.42 73.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.264 0.554 . . . . 0.43 109.78 173.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -41.05 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.154 -0.93 . . . . 0.4 110.477 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.843 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -72.29 -42.52 65.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.368 -0.833 . . . . 0.28 112.361 -174.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 83.5 mt -68.34 -39.07 82.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.105 0.479 . . . . 0.33 109.844 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.1 OUTLIER -56.24 -56.22 23.63 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.353 -0.84 . . . . 1.67 109.64 172.245 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -63.29 -20.87 65.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.25 0.463 . . . . 0.48 112.25 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -69.98 -60.37 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.723 0.268 . . . . 0.57 111.723 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.438 ' C ' ' H ' ' A' ' 88' ' ' HIS . 42.9 t-80 -86.39 -39.18 16.65 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.431 0.634 . . . . 2.68 110.964 -178.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.493 ' C ' ' H ' ' A' ' 89' ' ' THR . 15.3 t80 -84.13 23.25 1.08 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.885 0.874 . . . . 1.8 109.164 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 46.0 t60 -49.79 19.47 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.261 1.824 . . . . 3.26 115.291 -176.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 87' ' ' TYR . 2.1 t -66.39 -35.09 79.45 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.13 -1.063 . . . . 1.26 108.13 172.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 . . . . . 0 N--CA 1.462 0.174 0 CA-C-N 114.448 -1.251 . . . . 3.47 109.3 174.163 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.477 0.656 . . . . 3.1 109.953 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.88 -20.57 57.94 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.977 -1.01 . . . . 2.51 110.166 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.565 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 81.9 m-70 -72.73 -43.05 63.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.823 -0.436 . . . . 2.16 109.823 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.843 HD13 ' HB1' ' A' ' 81' ' ' ALA . 83.1 mt -68.36 -60.81 2.18 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.34 110.868 177.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.21 -22.55 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.94 -0.573 . . . . 2.41 110.536 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.618 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -71.68 -38.41 61.22 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.44 112.224 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' ' 7' ' ' HIS . 72.0 mt -66.79 -38.68 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.04 -0.726 . . . . 1.16 109.04 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.95 -33.54 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.976 -1.011 . . . . 0.57 110.182 172.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -71.29 -34.79 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 1.42 110.97 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 10' ' ' GLY . 23.1 mt -68.15 -38.7 80.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 109.574 -0.528 . . . . 2.06 109.574 177.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.09 -47.81 83.91 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.654 -0.869 . . . . 2.58 108.654 171.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -58.92 -23.86 61.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.852 -1.067 . . . . 2.23 110.884 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 2.77 110.599 -179.825 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.455 0.645 . . . . 2.91 111.455 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -81.12 -170.72 2.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.563 -0.744 . . . . 1.35 111.475 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.542 ' HD2' ' CE ' ' B' ' 51' ' ' LYS . 16.6 ttmt -53.83 -31.93 51.05 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 111.854 0.316 . . . . 1.32 111.854 -172.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.555 ' O ' ' HG3' ' B' ' 34' ' ' LYS . . . -58.06 -44.61 94.59 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 121.116 -0.564 . . . . 0.4 113.283 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -67.96 -44.09 77.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.371 0.605 . . . . 2.43 110.156 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.9 tp -64.41 -43.1 95.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.117 -0.947 . . . . 0.52 110.059 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' B' ' 31' ' ' GLY . 1.6 pptp? -64.68 -31.03 72.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.068 -0.514 . . . . 1.87 110.329 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.703 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 39.1 mt-30 -61.74 -63.65 1.19 Allowed 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.579 -0.526 . . . . 2.45 109.579 172.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.412 ' CD1' HG22 ' B' ' 14' ' ' ILE . 9.8 tt -48.92 -48.13 42.92 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 123.942 0.776 . . . . 0.45 110.735 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.0 mt -63.79 -53.3 53.0 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.113 0.783 . . . . 0.45 113.113 -174.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.516 HG22 ' HA ' ' B' ' 49' ' ' LYS . 36.7 p -66.12 -32.91 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.933 0.345 . . . . 1.23 111.933 -173.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.703 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.9 ptmm? -96.41 -35.13 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.789 0.663 . . . . 1.62 112.789 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.406 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 10.2 mm-40 -95.81 -43.68 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.178 0.513 . . . . 1.67 110.92 -171.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 8' ' ' LEU . 13.6 mt -105.3 26.77 8.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.256 0.551 . . . . 1.42 109.695 -174.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.76 -39.52 25.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 114.621 -1.172 . . . . 0.78 113.308 -175.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -114.42 18.76 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.501 -0.48 . . . . 2.16 111.45 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.46 HG21 ' CD1' ' A' ' 8' ' ' LEU . 1.6 m -103.3 -54.32 2.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.48 0.657 . . . . 0.66 110.144 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.501 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.0 mt -92.06 144.04 10.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.088 -0.96 . . . . 0.6 109.788 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -60.95 123.89 18.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.193 -0.299 . . . . 1.61 110.193 -176.166 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.492 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 42.79 45.11 4.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.515 -0.766 . . . . 1.48 111.93 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' B' ' 42' ' ' ALA . 8.1 tp -60.57 -5.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.824 0.821 . . . . 0.56 111.265 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.516 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.1 OUTLIER -83.07 -16.79 45.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.224 -0.898 . . . . 1.11 109.992 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.43 ' O ' HG13 ' B' ' 54' ' ' ILE . 7.2 m-20 -84.78 128.42 34.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.312 -0.858 . . . . 1.59 111.383 -178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.542 ' CE ' ' HD2' ' B' ' 30' ' ' LYS . 23.0 tptm -63.47 -25.73 68.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.107 -0.951 . . . . 0.92 110.144 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.48 -37.57 74.25 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.488 0.661 . . . . 0.67 109.293 175.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.445 HG22 ' HE3' ' B' ' 46' ' ' LYS . 25.7 t -71.53 -43.22 72.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 114.87 -1.059 . . . . 0.6 109.163 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 50' ' ' ASP . 54.1 mt -64.63 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.639 -1.164 . . . . 0.42 111.302 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 13.7 t70 -63.92 -51.71 63.22 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.709 -0.848 . . . . 1.53 108.709 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 19.5 mm-40 -49.19 -43.93 42.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.622 -1.172 . . . . 1.77 111.387 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 73.1 mt -70.98 -57.78 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.458 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 80.1 t80 -52.77 -47.16 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.939 -0.573 . . . . 1.67 110.89 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 82.9 mm-40 -66.91 -26.79 67.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.468 -0.787 . . . . 1.91 110.48 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.34 -32.77 54.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 0.53 112.643 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.8 OUTLIER -82.22 -40.59 21.44 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.242 -0.651 . . . . 0.59 109.242 -179.441 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -75.99 73.07 2.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.11 -0.95 . . . . 1.4 110.716 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.97 -16.32 62.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.088 -0.96 . . . . 1.31 109.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.64 -20.53 56.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.14 -0.937 . . . . 2.8 110.143 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.9 35.45 19.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 114.978 -1.01 . . . . 2.72 110.788 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -119.56 8.5 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 2.14 111.43 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.407 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 40.9 tt0 64.91 49.22 2.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 2.01 110.419 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.53 119.76 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 2.16 111.884 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.59 107.5 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.084 -0.507 . . . . 1.81 110.672 170.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.512 ' H ' ' CG ' ' B' ' 73' ' ' GLU . 6.1 t70 -94.8 -173.51 3.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.171 -1.048 . . . . 2.02 108.171 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -61.74 -42.5 99.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.203 0.456 . . . . 2.18 111.659 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.436 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 0.9 OUTLIER -70.74 -40.88 72.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.405 0.621 . . . . 1.67 110.332 -178.094 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.6 mm-40 -61.05 -39.47 89.97 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.408 -0.96 . . . . 1.99 108.408 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.555 ' O ' HG23 ' B' ' 78' ' ' VAL . 63.1 t80 -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.372 -0.831 . . . . 1.92 110.501 176.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.8 OUTLIER -65.62 -37.61 80.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 0.67 109.174 176.049 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.55 ' O ' HD13 ' B' ' 80' ' ' ILE . 20.2 m -62.47 -40.17 95.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.345 -0.843 . . . . 0.74 109.184 174.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.551 HD23 HG21 ' B' ' 57' ' ' ILE . 1.9 tm? -58.99 -43.29 91.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 1.14 110.148 177.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.3 t -66.21 -31.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.002 -0.37 . . . . 0.33 110.002 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.87 -50.27 74.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.288 0.566 . . . . 0.43 109.791 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.55 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.72 -41.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.237 -0.892 . . . . 0.4 110.418 175.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.86 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -72.23 -42.48 65.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.275 -0.875 . . . . 0.28 112.421 -174.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 83.6 mt -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.236 0.541 . . . . 0.33 109.852 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -56.2 -56.26 23.08 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.291 -0.868 . . . . 1.67 109.628 172.21 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -63.24 -20.95 65.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.317 0.488 . . . . 0.48 112.317 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -69.8 -60.36 2.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.727 0.269 . . . . 0.57 111.727 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' B' ' 88' ' ' HIS . 42.4 t-80 -86.59 -38.85 16.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.23 0.538 . . . . 2.68 110.95 -178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.485 ' C ' ' H ' ' B' ' 89' ' ' THR . 15.2 t80 -84.55 23.6 1.11 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.809 0.844 . . . . 1.8 109.076 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 48.0 t60 -50.07 19.01 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.274 1.83 . . . . 3.27 115.259 -175.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.485 ' H ' ' C ' ' B' ' 87' ' ' TYR . 2.0 t -66.26 -34.9 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.084 -1.08 . . . . 1.27 108.084 173.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 . . . . . 0 N--CA 1.461 0.12 0 CA-C-N 114.465 -1.243 . . . . 3.47 109.403 174.057 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.514 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.9 pt-20 . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 114.726 1.38 . . . . 3.1 114.726 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -34.68 78.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.545 0.688 . . . . 2.51 109.747 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.499 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 26.9 m-70 -82.83 -39.67 21.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.595 -0.73 . . . . 2.16 111.577 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.785 HD13 ' HB1' ' B' ' 81' ' ' ALA . 79.0 mt -63.15 -61.01 2.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.373 0.606 . . . . 0.34 110.543 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.78 -25.53 65.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.169 -0.923 . . . . 2.41 109.896 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -70.46 -42.17 65.0 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.571 -0.74 . . . . 0.44 112.708 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 7' ' ' HIS . 62.9 mt -64.45 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 117.573 0.686 . . . . 1.16 109.253 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.85 -37.14 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.062 -0.972 . . . . 0.57 110.408 174.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.3 t30 -69.36 -41.73 76.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 1.42 110.657 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.95 -43.38 92.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.378 -0.374 . . . . 2.06 110.248 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.94 99.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.64 -0.504 . . . . 2.57 109.64 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -58.17 -37.85 75.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.753 0.311 . . . . 2.23 111.021 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 16.0 mm100 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 2.77 111.278 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' HB3' ' H ' ' A' ' 29' ' ' SER . 68.5 mt . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.289 0.566 . . . . 2.91 112.269 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.403 ' H ' ' HB3' ' A' ' 28' ' ' LEU . 15.7 m -84.24 -170.52 3.13 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.287 0.847 . . . . 1.35 113.287 -168.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.532 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 8.6 ttpp -56.23 -20.02 16.43 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.092 -0.958 . . . . 1.32 113.26 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 34' ' ' LYS . . . -54.42 -55.36 27.21 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.36 -0.448 . . . . 0.4 114.024 -176.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 32' ' ' GLU . 4.2 pt-20 -74.08 -29.61 61.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.798 0.332 . . . . 2.44 111.509 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.7 tp -60.14 -52.79 63.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.962 -0.755 . . . . 0.52 108.962 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 29.0 ttmt -48.42 -48.37 37.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.591 -1.186 . . . . 1.87 110.954 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 45.8 mt-30 -55.74 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 2.46 110.667 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -49.64 -47.31 49.94 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.301 0.572 . . . . 0.45 110.556 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -63.85 -52.42 60.16 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.885 -0.598 . . . . 0.45 112.381 -175.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.5 p -64.34 -35.41 80.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.431 -0.35 . . . . 1.23 111.75 -174.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.8 ptmt -97.4 -26.67 14.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.385 0.883 . . . . 1.61 113.385 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 63.3 mm-40 -99.04 -41.83 7.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.18 0.514 . . . . 1.67 111.079 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.513 HD22 HD11 ' B' ' 8' ' ' LEU . 15.6 mt -107.97 24.59 12.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.291 0.567 . . . . 1.42 109.928 -174.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -46.29 -39.98 10.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.255 -1.339 . . . . 0.78 113.831 -176.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -117.83 28.6 8.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.276 0.56 . . . . 2.16 110.773 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.6 m -112.52 -60.69 1.83 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.46 0.647 . . . . 0.66 110.146 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.488 HG21 HD11 ' A' ' 57' ' ' ILE . 49.3 mt -86.3 138.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.032 -0.986 . . . . 0.6 109.54 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -54.96 123.06 12.29 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.657 0.265 . . . . 1.61 110.656 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.515 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.2 m120 44.94 44.9 8.38 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.236 -0.893 . . . . 1.48 111.745 177.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.8 tp -61.16 -10.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 0.55 110.875 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.7 mmmm -84.3 -10.87 57.27 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.27 -0.877 . . . . 1.11 110.215 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.9 m-20 -91.92 129.44 37.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.541 -0.754 . . . . 1.58 111.25 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.75 -31.21 71.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.553 -1.203 . . . . 0.92 111.132 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.08 78.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.169 -0.678 . . . . 0.67 109.169 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 57' ' ' ILE . 26.7 t -72.34 -47.32 53.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.708 -1.133 . . . . 0.6 109.682 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 50' ' ' ASP . 38.8 mt -60.49 -37.92 76.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.375 -0.829 . . . . 0.42 111.501 177.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.83 -54.87 36.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.323 -0.621 . . . . 1.53 109.323 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -46.49 -44.23 17.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.137 -0.938 . . . . 1.77 111.389 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.652 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 66.6 mt -70.59 -60.12 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.608 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CG ' ' HB2' ' A' ' 30' ' ' LYS . 83.4 t80 -55.47 -46.43 76.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.904 0.383 . . . . 1.68 110.955 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 59' ' ' GLN . 13.7 mm-40 -64.32 -25.11 67.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 1.92 110.504 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.78 -29.72 46.48 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.827 -0.701 . . . . 0.53 112.777 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 2.9 mt -84.95 -39.65 17.89 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.115 0.458 . . . . 0.58 110.033 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.43 67.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.403 -0.817 . . . . 1.4 110.552 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.23 -19.58 46.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.344 -0.844 . . . . 1.3 109.697 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -72.34 -20.07 61.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.374 -0.83 . . . . 2.8 109.845 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 62.8 36.81 12.85 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.761 -1.109 . . . . 2.72 112.664 172.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.19 9.84 11.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.719 0.295 . . . . 2.13 110.979 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 63.97 51.62 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.759 . . . . 2.02 109.894 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -149.26 118.32 6.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.603 -0.726 . . . . 2.16 110.582 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 p -80.9 107.45 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.656 0.741 . . . . 1.81 110.367 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' HB3' ' HG2' ' A' ' 73' ' ' GLU . 24.1 t70 -85.69 174.97 9.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.592 -0.731 . . . . 2.02 109.163 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -59.03 -34.54 72.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.308 0.504 . . . . 2.17 109.965 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 21.2 tt0 -68.34 -43.06 78.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 1.66 111.029 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.5 mm-40 -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.803 0.811 . . . . 1.99 109.333 178.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 78' ' ' VAL . 69.9 t80 -74.52 -20.61 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.575 . . . . 1.92 109.795 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -68.43 -40.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.625 -0.716 . . . . 0.67 109.674 177.645 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.586 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.6 p -70.4 -29.28 65.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.985 -0.552 . . . . 0.74 109.765 173.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.5 tm? -59.23 -46.81 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.789 -0.449 . . . . 1.15 109.789 173.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.7 t -64.09 -29.65 47.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.33 109.623 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.6 -51.48 68.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.187 0.518 . . . . 0.43 109.997 174.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -55.24 -41.37 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.299 -0.864 . . . . 0.4 110.41 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.68 -33.44 58.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.436 -0.802 . . . . 0.28 112.588 -174.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 93.7 mt -73.76 -35.2 64.97 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 0.33 109.856 176.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.2 OUTLIER -62.63 -49.74 73.97 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.462 -0.79 . . . . 1.67 109.253 170.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -62.56 -22.21 66.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.563 . . . . 0.48 112.135 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.03 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.672 0.249 . . . . 0.57 111.672 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.59 -42.08 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.472 0.653 . . . . 2.68 110.661 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' THR . 8.2 t80 -90.19 23.87 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.107 -0.951 . . . . 1.8 109.385 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -46.32 19.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.721 2.119 . . . . 3.26 116.721 -175.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' TYR . 2.5 t -71.89 -45.33 61.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.57 -0.9 . . . . 1.26 108.57 173.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 123.641 0.777 . . . . 3.47 109.796 176.931 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.497 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.8 pt-20 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 114.626 1.343 . . . . 3.1 114.626 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.448 0.642 . . . . 2.51 109.753 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.507 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 27.0 m-70 -82.84 -39.93 21.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.535 -0.757 . . . . 2.16 111.607 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.784 HD13 ' HB1' ' A' ' 81' ' ' ALA . 78.9 mt -63.01 -60.97 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.246 0.546 . . . . 0.34 110.485 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.82 -25.31 65.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.229 -0.896 . . . . 2.41 109.852 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.499 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -70.67 -42.21 62.94 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.604 -0.726 . . . . 0.44 112.676 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' ' 7' ' ' HIS . 62.9 mt -64.47 -40.25 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 117.593 0.697 . . . . 1.16 109.338 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.76 -37.22 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.121 -0.945 . . . . 0.57 110.389 174.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.472 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 8.9 t30 -69.41 -41.91 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 1.42 110.657 176.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.62 -43.5 91.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.292 -0.413 . . . . 2.06 110.269 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.05 -40.83 98.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.591 -0.522 . . . . 2.58 109.591 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -58.41 -37.69 75.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.705 0.288 . . . . 2.23 110.963 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 16.0 mm100 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 2.77 111.335 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.421 ' HB2' ' CD ' ' B' ' 32' ' ' GLU . 66.9 mt . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 121.27 0.557 . . . . 2.91 112.25 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -84.47 -170.54 3.16 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.167 0.802 . . . . 1.35 113.167 -168.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.535 ' HB2' ' CD2' ' B' ' 58' ' ' PHE . 8.8 ttpp -56.03 -20.4 16.66 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.008 -0.996 . . . . 1.32 113.213 -177.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' B' ' 34' ' ' LYS . . . -54.13 -55.26 27.1 Favored Glycine 0 N--CA 1.463 0.434 0 C-N-CA 121.403 -0.427 . . . . 0.4 114.101 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' B' ' 28' ' ' LEU . 4.2 pt-20 -74.3 -29.46 61.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.853 0.359 . . . . 2.43 111.534 -175.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 37.1 tp -60.33 -52.73 64.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.993 -0.743 . . . . 0.52 108.993 172.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' B' ' 31' ' ' GLY . 28.8 ttmt -48.51 -48.25 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.506 -1.224 . . . . 1.87 110.922 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.604 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 46.3 mt-30 -55.71 -62.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.45 110.716 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -49.57 -47.47 49.23 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.302 0.573 . . . . 0.45 110.512 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.0 mt -63.71 -52.36 60.9 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.762 -0.654 . . . . 0.45 112.378 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.492 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.5 p -64.4 -35.49 81.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.437 -0.347 . . . . 1.23 111.729 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.7 ptmt -97.28 -26.89 14.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.38 0.881 . . . . 1.62 113.38 -175.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 64.2 mm-40 -98.98 -41.71 7.45 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.148 0.499 . . . . 1.67 111.105 -176.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.511 HD22 HD11 ' A' ' 8' ' ' LEU . 15.5 mt -107.92 24.57 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.393 0.616 . . . . 1.42 109.963 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.404 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -46.33 -40.0 11.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.257 -1.338 . . . . 0.78 113.773 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -117.8 28.9 8.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.187 0.518 . . . . 2.16 110.795 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.514 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.6 m -112.73 -60.33 1.89 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.459 0.647 . . . . 0.66 110.324 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 48.9 mt -86.76 138.37 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.943 -1.026 . . . . 0.6 109.577 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.501 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -54.69 122.86 11.57 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 120.661 0.267 . . . . 1.61 110.695 -177.261 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.501 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 13.3 m120 45.22 44.91 9.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.021 -0.99 . . . . 1.48 111.835 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.8 tp -61.31 -10.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.816 0.817 . . . . 0.56 110.875 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.492 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.7 mmmm -84.7 -10.45 57.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.273 -0.876 . . . . 1.11 110.28 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.0 129.37 37.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.416 -0.811 . . . . 1.59 111.358 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.66 -31.18 71.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.595 -1.184 . . . . 0.92 111.157 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.82 77.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.264 -0.643 . . . . 0.67 109.264 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.47 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.6 t -72.55 -47.39 51.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.711 -1.131 . . . . 0.6 109.643 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.27 -38.07 76.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.339 -0.846 . . . . 0.42 111.563 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.69 -54.72 38.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 109.426 -0.583 . . . . 1.53 109.426 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -46.58 -44.27 17.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.142 -0.935 . . . . 1.77 111.341 176.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.654 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.1 mt -70.62 -60.18 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.57 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' B' ' 30' ' ' LYS . 84.0 t80 -55.52 -46.43 77.04 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.824 0.345 . . . . 1.67 110.917 -177.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.433 ' OE1' ' HA ' ' B' ' 59' ' ' GLN . 13.7 mm-40 -64.35 -25.05 67.86 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.688 -0.687 . . . . 1.91 110.341 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.24 -29.27 46.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.792 -0.718 . . . . 0.53 112.799 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 3.0 mt -84.86 -39.87 17.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 117.102 0.451 . . . . 0.59 110.1 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.42 67.78 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.304 -0.862 . . . . 1.4 110.569 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.16 -19.34 47.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 1.31 109.749 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.61 -19.73 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.268 -0.878 . . . . 2.8 109.963 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 62.26 37.26 14.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.683 -1.144 . . . . 2.72 112.48 171.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -120.53 9.77 10.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.73 0.3 . . . . 2.14 110.991 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 64.03 51.71 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 2.01 109.951 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -149.2 118.3 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 2.16 110.619 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.8 p -80.75 107.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.661 0.743 . . . . 1.81 110.358 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.488 ' HB3' ' HG2' ' B' ' 73' ' ' GLU . 22.3 t70 -85.8 175.06 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.029 -0.73 . . . . 2.02 109.029 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.285 0.493 . . . . 2.18 110.058 176.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 21.5 tt0 -68.33 -43.1 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 1.67 111.023 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.4 mm-40 -70.2 -31.05 68.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.727 0.775 . . . . 1.99 109.487 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.625 ' O ' HG23 ' B' ' 78' ' ' VAL . 69.8 t80 -74.43 -20.76 59.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 1.92 109.707 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -68.08 -40.61 83.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.616 -0.72 . . . . 0.67 109.734 177.448 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.588 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.6 p -70.45 -29.19 65.69 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.005 -0.543 . . . . 0.74 109.628 173.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.589 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.5 tm? -59.32 -46.76 87.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.769 -0.456 . . . . 1.14 109.769 173.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.8 t -64.06 -29.78 48.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.59 -0.522 . . . . 0.33 109.59 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.59 -51.12 69.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.204 0.526 . . . . 0.43 109.962 174.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.588 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -55.74 -41.2 64.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.315 -0.857 . . . . 0.4 110.323 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.785 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.78 -33.47 58.05 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.434 -0.803 . . . . 0.28 112.57 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 93.7 mt -73.72 -35.07 65.05 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.344 0.592 . . . . 0.33 109.943 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.461 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -62.61 -49.61 74.54 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.558 -0.746 . . . . 1.67 109.211 170.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -62.84 -22.05 66.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.032 -0.531 . . . . 0.48 112.065 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.22 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.779 0.288 . . . . 0.57 111.779 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.91 -42.28 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.456 0.645 . . . . 2.68 110.626 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' B' ' 89' ' ' THR . 8.4 t80 -90.11 23.73 2.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.087 -0.96 . . . . 1.8 109.303 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -46.29 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.725 2.12 . . . . 3.27 116.725 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.485 ' N ' ' O ' ' B' ' 87' ' ' TYR . 2.5 t -71.76 -45.55 61.32 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.559 -0.904 . . . . 1.27 108.559 173.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 N--CA 1.468 0.467 0 C-N-CA 123.637 0.775 . . . . 3.47 109.852 176.814 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 114.404 1.261 . . . . 3.1 114.404 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.54 -42.48 64.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 2.51 111.15 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.467 ' O ' HG13 ' A' ' 11' ' ' ILE . 16.6 m-70 -75.56 -55.22 5.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.436 -0.347 . . . . 2.16 110.51 -176.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.908 HD13 ' HB1' ' B' ' 81' ' ' ALA . 57.0 mt -62.19 -60.32 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.215 0.531 . . . . 0.34 111.559 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.34 -26.8 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.68 -0.691 . . . . 2.41 109.932 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.44 -38.27 90.81 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.915 -0.659 . . . . 0.44 112.577 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.9 mt -66.43 -42.31 90.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.243 -0.651 . . . . 1.16 109.243 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.544 ' O ' ' HB3' ' A' ' 15' ' ' PHE . 71.1 t -64.71 -33.13 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 114.594 -1.184 . . . . 0.57 111.323 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -64.93 -43.27 93.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 1.42 111.393 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 mm -72.12 -23.86 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.116 0.484 . . . . 2.06 110.258 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.544 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 61.9 t80 -59.34 -42.81 92.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.297 -0.631 . . . . 2.57 109.297 171.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.23 -0.895 . . . . 2.23 110.657 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 2.77 112.243 -176.881 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 121.038 0.447 . . . . 2.91 110.59 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.7 p -85.75 -172.73 4.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.417 -0.356 . . . . 1.35 111.402 -176.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -65.59 -27.21 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.058 -0.257 . . . . 1.32 111.328 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 -41.85 99.64 Favored Glycine 0 CA--C 1.513 -0.089 0 C-N-CA 120.558 -0.829 . . . . 0.4 112.099 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.36 -42.2 75.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.289 0.566 . . . . 2.44 110.427 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.668 HD11 ' HG ' ' A' ' 77' ' ' LEU . 23.3 tp -62.39 -51.55 67.14 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.152 -0.931 . . . . 0.52 109.639 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -53.44 -46.04 69.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 1.87 111.089 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -53.25 -58.77 5.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.256 -0.429 . . . . 2.46 110.042 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.5 tt -54.38 -51.63 64.23 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.936 0.398 . . . . 0.45 110.599 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD21 HD21 ' A' ' 77' ' ' LEU . 97.0 mt -58.85 -49.67 76.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.757 0.651 . . . . 0.45 112.757 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.511 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 28.7 p -66.39 -31.55 72.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.003 0.371 . . . . 1.23 112.003 -174.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -96.62 -22.56 16.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.721 0.638 . . . . 1.61 112.721 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 24.6 mm-40 -103.36 -46.48 4.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.964 0.411 . . . . 1.67 111.826 -174.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.699 HD22 HD11 ' B' ' 8' ' ' LEU . 15.8 mt -107.14 22.2 16.36 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.071 -0.513 . . . . 1.42 109.765 -174.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -48.13 -34.32 9.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.767 -1.106 . . . . 0.78 113.036 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -122.38 35.75 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.447 0.641 . . . . 2.16 110.771 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.527 HG21 HD12 ' B' ' 8' ' ' LEU . 16.9 m -119.73 -62.81 1.45 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.304 0.573 . . . . 0.66 109.941 174.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 57.0 mt -84.71 133.29 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.267 -0.879 . . . . 0.6 109.753 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -53.23 127.0 22.89 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 123.359 0.412 . . . . 1.61 110.909 -178.769 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.41 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 9.3 m120 48.34 39.77 13.11 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.918 0.761 . . . . 1.48 111.406 174.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.0 tp -62.65 -8.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 122.09 0.948 . . . . 0.55 110.25 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.6 OUTLIER -84.66 -12.95 52.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.744 -1.116 . . . . 1.11 110.214 178.535 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.34 129.41 34.86 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.691 -0.686 . . . . 1.58 110.53 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.75 -26.41 67.71 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.574 -0.739 . . . . 0.92 109.702 178.18 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.33 78.03 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.64 0.733 . . . . 0.67 109.393 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.0 t -74.69 -45.2 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.61 -1.177 . . . . 0.6 109.397 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.89 -38.55 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.921 -1.036 . . . . 0.42 111.438 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 1.1 t70 -66.62 -43.34 85.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.169 -0.678 . . . . 1.53 109.169 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 28.6 mm-40 -50.85 -47.2 60.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 1.77 110.941 174.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 63.2 mt -71.85 -53.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.903 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 88.2 t80 -52.08 -48.57 64.63 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.336 -0.847 . . . . 1.68 110.818 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -68.11 -25.9 65.54 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.795 -0.639 . . . . 1.92 110.695 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.48 73.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.895 -0.669 . . . . 0.53 111.736 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -90.08 -39.99 12.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.542 -0.54 . . . . 0.58 109.542 179.179 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.41 69.89 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.498 0.666 . . . . 1.4 110.007 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.82 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 1.3 110.975 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -86.88 -11.63 50.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.224 0.535 . . . . 2.8 110.131 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 60.55 43.04 13.33 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.101 -0.954 . . . . 2.72 110.572 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -99.85 -10.7 21.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 2.13 109.825 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 34.3 mt-10 65.29 29.59 11.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.763 -1.108 . . . . 2.02 111.696 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -139.58 120.3 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.102 -0.499 . . . . 2.16 110.607 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.03 115.28 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.666 -0.697 . . . . 1.81 110.828 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.565 ' HB3' ' HG2' ' A' ' 73' ' ' GLU . 20.1 t70 -79.16 166.8 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 2.02 109.086 173.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.462 ' HD1' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 m-85 -56.21 -36.82 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.242 0.544 . . . . 2.17 110.286 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 62.0 tt0 -69.32 -40.65 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.374 -0.83 . . . . 1.66 110.445 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 70' ' ' ASP . 2.5 mm-40 -73.16 -30.48 63.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.647 -0.706 . . . . 1.99 109.892 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.585 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 80.4 t80 -70.41 -23.09 62.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.527 0.68 . . . . 1.92 109.462 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.64 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.7 mt -70.78 -40.34 76.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.425 -0.807 . . . . 0.67 109.472 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.717 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.35 -23.49 63.77 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.072 -0.513 . . . . 0.74 110.251 173.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.668 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.2 tm? -60.81 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.893 -0.781 . . . . 1.15 108.893 172.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.485 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 8.6 t -63.17 -31.4 52.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 CA-C-N 115.613 -0.721 . . . . 0.33 109.514 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -59.04 -50.69 73.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 0.43 110.714 176.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.717 HD13 ' O ' ' A' ' 76' ' ' SER . 1.4 mp -58.15 -38.77 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.313 -0.858 . . . . 0.4 110.311 177.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.912 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.39 -37.44 60.51 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.488 -0.778 . . . . 0.28 111.716 -176.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -64.9 -35.37 80.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.572 0.701 . . . . 0.33 109.294 173.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.635 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 13.3 mttp -75.84 -20.76 57.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.292 -0.867 . . . . 1.67 111.105 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.87 -24.94 62.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.27 0.557 . . . . 0.48 109.654 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -82.83 -57.51 3.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.45 -0.795 . . . . 0.57 111.286 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.414 ' C ' ' H ' ' A' ' 88' ' ' HIS . 38.6 t60 -83.41 -57.85 3.07 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 2.68 111.783 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.512 ' C ' ' H ' ' A' ' 89' ' ' THR . 21.2 t80 -83.46 22.4 1.05 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 1.8 110.148 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 86' ' ' HIS . 6.2 p-80 -47.12 19.97 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.556 1.942 . . . . 3.26 116.186 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.512 ' H ' ' C ' ' A' ' 87' ' ' TYR . 39.5 p -67.99 -44.9 75.57 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.925 -0.485 . . . . 1.26 111.211 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m80 . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 3.47 110.436 179.037 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 114.515 1.302 . . . . 3.1 114.515 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.26 -42.48 63.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 2.51 111.177 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.464 ' O ' HG13 ' B' ' 11' ' ' ILE . 16.7 m-70 -75.63 -55.17 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.415 -0.357 . . . . 2.16 110.446 -176.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.912 HD13 ' HB1' ' A' ' 81' ' ' ALA . 56.8 mt -62.35 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 0.34 111.526 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.32 -26.92 63.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.672 -0.695 . . . . 2.41 109.945 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.61 92.1 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.941 -0.647 . . . . 0.44 112.493 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.4 mt -66.24 -42.13 90.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.242 -0.651 . . . . 1.16 109.242 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' B' ' 15' ' ' PHE . 70.0 t -64.73 -33.53 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.727 -1.124 . . . . 0.57 111.2 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.66 -43.56 93.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.42 111.266 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 mm -71.89 -23.83 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.004 0.43 . . . . 2.06 110.198 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.558 ' HB3' ' O ' ' B' ' 12' ' ' VAL . 61.7 t80 -59.48 -42.53 92.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.276 -0.639 . . . . 2.58 109.276 171.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.41 -21.91 61.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.258 -0.883 . . . . 2.23 110.647 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 2.77 112.34 -176.68 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 121.034 0.445 . . . . 2.91 110.543 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -85.84 -172.76 4.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.469 -0.332 . . . . 1.35 111.466 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.43 -27.29 68.42 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.99 -0.284 . . . . 1.32 111.341 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.02 99.67 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.584 -0.817 . . . . 0.4 111.942 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.34 -42.06 75.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 2.43 110.443 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.674 HD11 ' HG ' ' B' ' 77' ' ' LEU . 23.5 tp -62.51 -51.47 67.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.229 -0.896 . . . . 0.52 109.635 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.38 -45.93 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.458 -0.792 . . . . 1.87 111.112 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.48 -58.72 6.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.181 -0.463 . . . . 2.45 110.027 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 9.4 tt -54.33 -51.7 63.87 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 123.289 0.368 . . . . 0.45 110.591 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.619 HD21 HD21 ' B' ' 77' ' ' LEU . 97.0 mt -58.83 -49.68 76.83 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.723 0.638 . . . . 0.45 112.723 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 29.6 p -66.34 -31.48 72.3 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.073 0.397 . . . . 1.23 112.073 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -96.56 -22.68 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.803 0.668 . . . . 1.62 112.803 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 25.7 mm-40 -103.41 -46.43 4.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.935 0.398 . . . . 1.67 111.8 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.725 HD22 HD11 ' A' ' 8' ' ' LEU . 15.8 mt -107.17 22.14 16.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.1 -0.5 . . . . 1.42 109.735 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -48.05 -34.71 9.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.738 -1.119 . . . . 0.78 112.902 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -122.06 35.84 4.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.403 0.62 . . . . 2.16 110.657 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.5 HG21 HD12 ' A' ' 8' ' ' LEU . 16.7 m -119.81 -62.68 1.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.545 . . . . 0.66 109.972 174.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 57.1 mt -84.9 133.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.251 -0.886 . . . . 0.6 109.742 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.4 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -53.15 127.04 22.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.346 0.404 . . . . 1.61 110.856 -178.621 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.407 ' HB2' HG21 ' B' ' 53' ' ' VAL . 9.2 m120 48.44 39.64 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.84 0.712 . . . . 1.48 111.418 174.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.0 tp -62.62 -8.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 122.049 0.928 . . . . 0.56 110.277 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.434 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.76 -12.61 53.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.709 -1.132 . . . . 1.11 110.159 178.616 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.6 128.91 35.02 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 115.643 -0.708 . . . . 1.59 110.617 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.48 68.07 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.44 -0.8 . . . . 0.92 109.894 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.74 78.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.507 0.67 . . . . 0.67 109.365 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.437 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -74.22 -45.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.5 -1.227 . . . . 0.6 109.509 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.05 -38.68 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.885 -1.052 . . . . 0.42 111.386 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 1.0 OUTLIER -66.51 -43.25 85.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.055 -0.72 . . . . 1.53 109.055 -178.671 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -51.0 -47.08 61.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.162 -0.926 . . . . 1.77 110.981 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.577 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 63.4 mt -71.93 -53.03 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.872 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 87.9 t80 -52.2 -48.56 65.0 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.357 -0.838 . . . . 1.67 110.77 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -68.22 -25.82 65.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.682 -0.69 . . . . 1.91 110.723 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.69 -31.45 70.52 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.801 -0.714 . . . . 0.53 111.833 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -90.57 -39.91 12.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.53 -0.544 . . . . 0.59 109.53 178.754 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -77.62 70.13 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.608 0.718 . . . . 1.4 110.011 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.22 -17.3 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.561 -0.745 . . . . 1.31 111.003 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -87.4 -11.3 49.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.266 0.555 . . . . 2.8 110.163 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 60.11 43.39 14.3 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.14 -0.936 . . . . 2.72 110.571 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.88 -10.95 21.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.504 -0.771 . . . . 2.14 109.744 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.474 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 34.2 mt-10 65.06 30.4 11.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.731 -1.122 . . . . 2.01 111.637 -177.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -140.31 120.49 13.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.984 -0.553 . . . . 2.16 110.544 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.54 114.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.614 -0.721 . . . . 1.81 110.797 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' B' ' 73' ' ' GLU . 21.3 t70 -78.79 166.8 22.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.302 -0.629 . . . . 2.02 109.302 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.473 ' HD1' ' CZ ' ' B' ' 15' ' ' PHE . 1.6 m-85 -56.31 -37.04 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.327 0.584 . . . . 2.18 110.15 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.516 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 61.8 tt0 -69.02 -40.52 78.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.353 -0.839 . . . . 1.67 110.663 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' B' ' 70' ' ' ASP . 2.5 mm-40 -73.29 -30.52 63.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.634 -0.712 . . . . 1.99 109.858 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.582 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 80.6 t80 -70.44 -23.03 62.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.593 0.711 . . . . 1.92 109.498 173.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.635 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.7 mt -70.59 -40.58 77.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.412 -0.813 . . . . 0.67 109.465 176.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.708 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.0 p -69.41 -23.19 63.68 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.068 -0.514 . . . . 0.74 110.246 173.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.674 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.2 tm? -60.88 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.92 -0.77 . . . . 1.14 108.92 172.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 8.9 t -63.26 -31.29 52.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-N 115.562 -0.744 . . . . 0.33 109.473 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.14 -50.77 72.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.078 -0.51 . . . . 0.43 110.678 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.708 HD13 ' O ' ' B' ' 76' ' ' SER . 1.4 mp -58.09 -38.68 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 0.4 110.29 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.908 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.55 -37.32 60.06 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.514 -0.766 . . . . 0.28 111.706 -176.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.2 mt -65.0 -35.19 80.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.56 0.695 . . . . 0.33 109.376 173.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.64 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 13.4 mttp -75.93 -20.78 57.69 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.298 -0.865 . . . . 1.67 111.097 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.9 -24.9 62.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.317 0.579 . . . . 0.48 109.562 173.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.441 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.05 -57.69 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.439 -0.801 . . . . 0.57 111.127 173.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' B' ' 88' ' ' HIS . 39.0 t60 -83.13 -58.11 2.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.929 0.395 . . . . 2.68 111.637 -174.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.519 ' C ' ' H ' ' B' ' 89' ' ' THR . 20.9 t80 -83.21 22.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.177 0.591 . . . . 1.8 110.209 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' HIS . . . . . 0.416 ' H ' ' C ' ' B' ' 86' ' ' HIS . 6.2 p-80 -47.25 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.663 1.985 . . . . 3.27 116.187 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.519 ' H ' ' C ' ' B' ' 87' ' ' TYR . 41.2 p -67.77 -45.15 75.69 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.935 -0.478 . . . . 1.27 111.264 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 m80 . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.378 0.609 . . . . 3.47 110.513 179.217 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.516 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.225 0 N-CA-C 112.074 0.398 . . . . 3.1 112.074 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 35.4 mt-10 -61.59 -33.97 74.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.341 0.591 . . . . 2.51 110.485 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.42 -58.61 3.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.822 -0.626 . . . . 2.16 110.525 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.816 HD13 ' HB1' ' B' ' 81' ' ' ALA . 82.0 mt -64.0 -60.07 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.34 111.453 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.35 -25.03 64.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.566 -0.531 . . . . 2.41 109.566 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.606 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.71 -43.43 97.81 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.864 -0.684 . . . . 0.44 112.496 174.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.26 -45.93 92.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.185 0.517 . . . . 1.16 109.869 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' B' ' 86' ' ' HIS . 4.1 t -51.03 -42.85 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.371 -0.831 . . . . 0.57 111.4 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.43 -34.54 77.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 1.42 111.126 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.606 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.6 mm -68.05 -41.27 84.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 120.832 0.349 . . . . 2.06 110.207 177.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 74' ' ' PHE . 22.3 m-85 -58.56 -49.75 76.31 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.044 -0.724 . . . . 2.57 109.044 173.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.83 -21.27 64.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.026 -0.988 . . . . 2.23 111.326 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 53.5 tp60 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.372 -0.377 . . . . 2.77 111.599 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 2.1 mm? . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 107.987 -1.116 . . . . 2.91 107.987 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 m -104.73 -172.92 2.19 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.829 0.677 . . . . 1.35 112.829 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 2.1 ttmp? -66.86 -35.88 81.05 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.311 -0.404 . . . . 1.32 111.034 -177.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.97 -44.02 87.83 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 121.293 -0.479 . . . . 0.4 113.186 -177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.33 -39.67 89.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.081 0.467 . . . . 2.44 110.642 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.4 tp -62.52 -46.05 90.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.795 . . . . 0.52 109.636 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 59.9 tttm -56.02 -45.44 79.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.343 -0.844 . . . . 1.87 111.472 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.0 mp0 -57.67 -61.26 2.64 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.014 -0.274 . . . . 2.46 110.336 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.3 tt -49.14 -43.89 42.12 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 123.856 0.722 . . . . 0.45 110.974 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 91.2 mt -68.27 -50.86 50.88 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.262 0.467 . . . . 0.45 112.262 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 49' ' ' LYS . 31.7 p -65.79 -29.29 69.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.384 -0.371 . . . . 1.23 111.804 -175.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.9 ptmt -96.88 -39.87 9.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.678 0.621 . . . . 1.61 112.678 -177.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 10.3 mm-40 -92.86 -46.48 7.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.855 0.36 . . . . 1.67 111.532 -170.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.571 HD22 HD11 ' B' ' 8' ' ' LEU . 17.5 mt -102.87 23.32 12.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.227 0.536 . . . . 1.42 109.803 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.557 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.864 -1.062 . . . . 0.78 111.97 -178.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -110.8 25.1 12.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.89 -0.595 . . . . 2.16 110.632 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.534 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 13.4 m -120.41 -65.57 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.54 . . . . 0.66 110.683 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.558 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 46.1 mt -84.16 137.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.024 -0.989 . . . . 0.6 110.645 -174.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -58.7 127.36 31.81 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.596 -0.275 . . . . 1.61 110.566 -179.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.444 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 3.9 m-20 48.65 39.5 13.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.501 -0.772 . . . . 1.48 110.931 175.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.558 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.1 tp -63.21 -8.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 122.247 1.022 . . . . 0.55 110.032 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.528 ' HA ' HG22 ' A' ' 38' ' ' THR . 14.1 mmmm -82.27 -12.28 58.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.45 -1.25 . . . . 1.11 109.893 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.5 133.34 35.12 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 121.493 0.664 . . . . 1.58 110.686 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -62.19 -27.47 69.0 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.638 -1.165 . . . . 0.92 110.77 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.86 74.08 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.664 0.745 . . . . 0.67 109.469 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.6 t -76.78 -42.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.781 -1.1 . . . . 0.6 109.41 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.419 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.4 mt -61.91 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.203 -0.908 . . . . 0.42 111.101 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 17.0 t70 -60.63 -54.25 47.63 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 115.526 -0.761 . . . . 1.53 109.466 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -45.6 -46.18 14.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.311 -0.859 . . . . 1.77 111.439 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 53' ' ' VAL . 51.8 mt -69.21 -57.6 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.047 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.496 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 91.8 t80 -55.9 -44.51 78.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 1.68 110.941 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 71.7 mm-40 -62.15 -29.49 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.863 -0.608 . . . . 1.92 109.986 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.53 -22.44 75.35 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.53 112.987 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -97.05 -41.44 8.36 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 117.315 0.558 . . . . 0.58 109.903 179.699 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.21 76.67 0.09 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.138 0.899 . . . . 1.4 110.693 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.67 -16.35 54.21 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.816 -1.084 . . . . 1.3 109.441 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.29 -20.42 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.919 -1.037 . . . . 2.8 109.963 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 60.05 34.44 21.37 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 114.623 -1.172 . . . . 2.72 111.545 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -135.36 17.05 3.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.812 0.815 . . . . 2.13 109.66 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 60.99 52.8 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.526 -1.215 . . . . 2.02 109.982 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -134.55 116.84 15.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.532 -0.758 . . . . 2.16 109.673 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 4.6 p -103.69 107.97 23.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 121.542 0.686 . . . . 1.81 110.507 176.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.85 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.649 . . . . 2.02 109.535 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 97.2 m-85 -61.61 -26.54 68.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.994 0.426 . . . . 2.17 110.92 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.608 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 51.8 tt0 -70.45 -35.44 73.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.309 0.576 . . . . 1.66 110.364 172.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 35.0 mt-10 -80.43 -29.95 37.61 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 1.99 109.989 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 22.9 m-85 -62.32 -27.59 69.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.326 0.584 . . . . 1.92 109.536 166.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.608 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -68.38 -40.43 82.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.362 -0.836 . . . . 0.67 109.328 176.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 80' ' ' ILE . 49.1 m -59.84 -36.06 76.04 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.538 -0.756 . . . . 0.74 109.884 173.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.567 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 7.1 tp -57.63 -46.31 84.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.15 110.731 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.442 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.9 t -67.21 -25.89 34.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 0.33 109.817 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.93 -48.81 78.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.287 0.565 . . . . 0.43 109.597 172.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -62.24 -37.59 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.166 -0.924 . . . . 0.4 110.405 176.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.866 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.97 -38.43 53.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.908 -0.587 . . . . 0.28 112.388 -174.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.9 mt -69.22 -36.11 76.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.625 0.726 . . . . 0.33 109.092 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -59.55 -38.39 80.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.729 -1.123 . . . . 1.67 109.891 171.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.09 -22.95 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.845 . . . . 0.48 111.666 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.61 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.3 -58.55 2.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.516 -0.311 . . . . 0.57 111.539 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.621 ' HB2' HG13 ' B' ' 12' ' ' VAL . 72.7 t60 -86.21 -50.64 6.83 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.292 0.479 . . . . 2.68 112.292 -174.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.553 ' O ' HG22 ' A' ' 89' ' ' THR . 4.6 t80 -89.74 23.04 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.766 -0.457 . . . . 1.8 109.766 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -45.74 20.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 117.029 2.233 . . . . 3.26 117.029 -174.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 87' ' ' TYR . 4.5 t -62.98 -33.69 75.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 118.738 0.699 . . . . 1.26 112.865 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.532 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 27.3 t60 . . . . . 0 N--CA 1.47 0.56 0 O-C-N 122.052 -0.405 . . . . 3.47 111.591 -177.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.534 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.174 0 N-CA-C 112.085 0.402 . . . . 3.1 112.085 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.45 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 34.8 mt-10 -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.444 0.64 . . . . 2.51 110.483 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.54 -58.56 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.815 -0.63 . . . . 2.16 110.489 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.866 HD13 ' HB1' ' A' ' 81' ' ' ALA . 82.3 mt -63.98 -59.96 3.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.34 111.509 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -68.6 -24.87 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 2.41 109.64 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.603 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.95 -43.32 97.63 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.793 -0.718 . . . . 0.44 112.41 174.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.27 -46.04 91.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 1.16 109.819 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' A' ' 86' ' ' HIS . 4.1 t -51.05 -42.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.297 -0.865 . . . . 0.57 111.495 171.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -67.32 -34.84 78.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.637 -0.71 . . . . 1.42 111.048 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.603 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.5 mm -67.97 -41.12 84.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-O 120.816 0.341 . . . . 2.06 110.235 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' B' ' 74' ' ' PHE . 22.3 m-85 -58.63 -49.94 75.65 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.035 -0.728 . . . . 2.58 109.035 173.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.64 -21.57 64.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.079 -0.964 . . . . 2.23 111.119 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.565 -0.289 . . . . 2.77 111.513 -178.38 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' B' ' 69' ' ' VAL . 2.1 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.0 -1.111 . . . . 2.91 108.0 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -104.69 -172.88 2.18 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.776 0.658 . . . . 1.35 112.776 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.511 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 2.1 ttmp? -66.85 -35.86 81.0 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.29 -0.414 . . . . 1.32 111.119 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.12 87.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.31 -0.471 . . . . 0.4 113.166 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -66.36 -39.7 89.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 2.43 110.713 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.8 tp -62.28 -46.15 90.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.429 -0.805 . . . . 0.52 109.675 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 59.7 tttm -56.0 -45.48 79.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.357 -0.838 . . . . 1.87 111.556 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.622 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.0 mp0 -57.43 -61.51 2.44 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.277 -0.268 . . . . 2.45 110.277 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.3 tt -49.2 -43.54 42.41 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.812 0.695 . . . . 0.45 111.027 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 90.3 mt -68.5 -50.9 48.82 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 112.276 0.473 . . . . 0.45 112.276 -177.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.512 HG22 ' HA ' ' B' ' 49' ' ' LYS . 28.7 p -65.78 -28.97 69.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.373 -0.376 . . . . 1.23 111.766 -175.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 17.9 ptmt -97.17 -40.07 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.6 0.592 . . . . 1.62 112.6 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.496 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 9.8 mm-40 -92.74 -46.39 7.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.928 0.394 . . . . 1.67 111.6 -170.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 8' ' ' LEU . 17.7 mt -102.82 23.23 12.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.218 0.532 . . . . 1.42 109.818 -174.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.543 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -56.21 -30.35 62.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.817 -1.083 . . . . 0.78 111.937 -178.03 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -111.05 24.83 12.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.92 -0.582 . . . . 2.16 110.74 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 12.3 m -120.23 -66.16 1.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.279 0.561 . . . . 0.66 110.502 177.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 46.6 mt -83.65 137.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.119 -0.946 . . . . 0.6 110.499 -173.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -58.89 127.26 31.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.538 -0.301 . . . . 1.61 110.674 -179.159 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.435 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 3.9 m-20 48.74 39.54 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.56 -0.746 . . . . 1.48 110.837 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -63.25 -8.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 122.284 1.04 . . . . 0.56 110.023 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.512 ' HA ' HG22 ' B' ' 38' ' ' THR . 14.0 mmmm -82.46 -12.07 58.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.32 -1.309 . . . . 1.11 109.959 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.68 133.54 35.07 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.492 0.663 . . . . 1.59 110.639 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.511 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -62.36 -27.24 68.93 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.591 -1.186 . . . . 0.92 110.68 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.96 74.24 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.603 0.716 . . . . 0.67 109.484 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.522 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.4 t -76.83 -42.24 33.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.652 -1.158 . . . . 0.6 109.405 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.425 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.6 mt -61.81 -39.72 84.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 0.42 111.148 174.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 16.5 t70 -60.59 -54.28 47.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.512 -0.767 . . . . 1.53 109.456 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -45.64 -45.93 14.28 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.291 -0.868 . . . . 1.77 111.461 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 53' ' ' VAL . 52.3 mt -69.48 -57.47 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.066 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.492 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 91.6 t80 -55.84 -44.65 78.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.951 -0.568 . . . . 1.67 110.999 -176.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.1 mm-40 -62.05 -28.97 69.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.777 -0.647 . . . . 1.91 110.105 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.91 -22.47 74.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.53 113.081 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -97.04 -41.45 8.36 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 117.301 0.551 . . . . 0.59 109.791 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.23 76.51 0.09 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.962 0.887 . . . . 1.4 110.762 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.53 -16.31 54.55 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.899 -1.046 . . . . 1.31 109.38 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.36 -20.25 61.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.864 -1.062 . . . . 2.8 110.043 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 59.81 34.39 21.86 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.635 -1.166 . . . . 2.72 111.558 173.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -135.39 16.85 3.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.694 0.759 . . . . 2.14 109.642 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 35.4 tt0 60.92 53.02 3.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.67 -1.15 . . . . 2.01 110.045 -174.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -134.71 116.44 14.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.46 -0.791 . . . . 2.16 109.786 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' B' ' 28' ' ' LEU . 4.7 p -103.36 108.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.515 0.674 . . . . 1.81 110.44 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.07 167.8 21.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.794 -0.639 . . . . 2.02 109.417 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 2.18 110.918 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.604 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 51.7 tt0 -70.81 -35.27 72.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 1.67 110.378 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 35.1 mt-10 -80.52 -29.96 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.936 -0.575 . . . . 1.99 110.039 178.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 22.7 m-85 -62.42 -27.58 69.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.417 0.627 . . . . 1.92 109.488 166.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -68.38 -40.36 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.334 -0.848 . . . . 0.67 109.398 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.604 ' O ' HD13 ' B' ' 80' ' ' ILE . 50.7 m -59.81 -36.13 76.12 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.545 -0.752 . . . . 0.74 109.927 173.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 7.0 tp -57.45 -46.44 83.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.827 0.346 . . . . 1.14 110.731 176.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 10.0 t -67.26 -25.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.152 -0.476 . . . . 0.33 109.881 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.8 -49.18 77.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.283 0.564 . . . . 0.43 109.513 172.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.604 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -61.97 -37.54 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.13 -0.941 . . . . 0.4 110.498 176.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.816 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.06 -38.39 52.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.605 . . . . 0.28 112.348 -174.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.9 mt -69.24 -36.08 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.761 . . . . 0.33 109.143 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.493 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -59.59 -38.5 81.4 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.683 -1.144 . . . . 1.67 109.86 172.014 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.16 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.287 -0.869 . . . . 0.48 111.742 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.586 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.11 -58.74 2.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.438 -0.346 . . . . 0.57 111.472 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.621 ' HB2' HG13 ' A' ' 12' ' ' VAL . 71.9 t60 -86.32 -50.25 7.07 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.278 0.473 . . . . 2.68 112.278 -174.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.538 ' O ' HG22 ' B' ' 89' ' ' THR . 4.5 t80 -89.87 23.13 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 1.8 109.811 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -45.97 20.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.912 2.19 . . . . 3.27 116.912 -174.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.538 HG22 ' O ' ' B' ' 87' ' ' TYR . 4.3 t -62.61 -34.53 77.2 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.756 0.707 . . . . 1.27 112.841 -177.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 27.1 t60 . . . . . 0 N--CA 1.47 0.526 0 O-C-N 122.003 -0.436 . . . . 3.47 111.571 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.455 ' CD ' ' HB3' ' B' ' 43' ' ' ASN . 3.9 mp0 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 108.912 -0.773 . . . . 3.1 108.912 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 38.7 tt0 -61.2 -18.57 58.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.306 -1.315 . . . . 2.51 111.849 -174.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.464 ' HA ' ' HA ' ' B' ' 7' ' ' HIS . 78.8 m-70 -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.403 -0.592 . . . . 2.16 109.403 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.828 HD13 ' HB1' ' B' ' 81' ' ' ALA . 41.6 mt -65.03 -59.74 3.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.897 -1.047 . . . . 0.34 111.249 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.07 -21.95 66.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 2.41 110.569 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.68 -35.76 74.5 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.724 -0.75 . . . . 0.44 112.149 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.87 -38.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.942 0.877 . . . . 1.16 109.582 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 85' ' ' ALA . 99.0 t -69.3 -41.48 81.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.888 -1.051 . . . . 0.57 111.774 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -80.04 -19.29 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.065 0.395 . . . . 1.42 112.065 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 pt -79.52 -31.68 14.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.082 -0.647 . . . . 2.06 110.26 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.21 -43.68 73.63 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.529 -0.915 . . . . 2.57 108.529 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -57.86 -32.52 67.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.752 -1.113 . . . . 2.23 110.17 174.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.585 -0.734 . . . . 2.77 112.148 -174.047 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 70' ' ' ASP . 78.1 mt . . . . . 0 C--O 1.222 -0.368 0 N-CA-C 109.188 -0.671 . . . . 2.91 109.188 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 m -103.58 -172.7 2.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.844 0.683 . . . . 1.35 112.844 -170.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 25.0 ttmt -75.64 -24.94 56.49 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.32 111.503 -174.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.09 -58.55 13.99 Favored Glycine 0 C--N 1.327 0.075 0 C-N-CA 121.035 -0.602 . . . . 0.4 113.117 -176.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -63.28 -38.32 90.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.002 0.429 . . . . 2.44 111.22 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.631 HD11 HD13 ' A' ' 77' ' ' LEU . 16.5 tp -55.06 -50.08 70.01 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.215 -0.902 . . . . 0.52 109.421 175.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 60.7 tttm -56.05 -46.83 78.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.663 -1.153 . . . . 1.87 111.437 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.2 mp0 -56.4 -60.21 3.85 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 110.201 -0.296 . . . . 2.46 110.201 174.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -48.97 -50.59 34.93 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.762 0.664 . . . . 0.45 110.743 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.65 HD21 HD11 ' A' ' 77' ' ' LEU . 95.1 mt -60.28 -50.06 75.15 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.357 0.503 . . . . 0.45 112.357 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 49' ' ' LYS . 50.8 p -70.34 -27.75 64.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.071 0.397 . . . . 1.23 112.071 -174.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -97.62 -31.3 12.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.699 0.629 . . . . 1.61 112.699 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -101.07 -39.54 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 1.67 111.289 -172.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.81 20.95 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.744 -0.465 . . . . 1.42 109.744 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.8 -30.88 35.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.065 -0.97 . . . . 0.78 112.706 -176.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.468 ' HB3' ' CD ' ' B' ' 5' ' ' GLU . 65.5 t30 -115.68 26.09 10.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.033 0.444 . . . . 2.16 111.395 -173.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -118.87 -64.19 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.283 0.564 . . . . 0.66 110.345 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 44.7 mt -81.58 132.45 31.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.302 -0.863 . . . . 0.6 110.009 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 1.9 pptp? -54.85 124.26 16.03 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.814 0.34 . . . . 1.61 110.604 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 48.82 43.74 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.295 -0.866 . . . . 1.48 111.568 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -61.93 -9.17 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.993 0.902 . . . . 0.55 110.2 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.5 OUTLIER -79.14 -13.21 59.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.959 -1.018 . . . . 1.11 110.049 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.34 127.78 35.19 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.652 -0.704 . . . . 1.58 111.129 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 21.4 tptp -64.1 -24.96 67.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.765 -1.107 . . . . 0.92 110.699 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.97 63.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.466 -0.568 . . . . 0.67 109.466 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.3 t -73.31 -44.54 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.144 -0.935 . . . . 0.6 108.994 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 73.0 mt -64.35 -37.41 79.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.859 -1.064 . . . . 0.42 111.365 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.63 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -63.37 -43.99 96.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.143 -0.688 . . . . 1.53 109.143 -178.357 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -53.99 -45.56 71.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.625 -1.171 . . . . 1.77 111.185 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.614 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 43.0 mt -68.71 -56.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.413 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 2.6 t80 -48.88 -47.41 43.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.342 -0.845 . . . . 1.68 111.159 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -64.6 -31.84 73.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.983 -0.553 . . . . 1.92 110.93 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.93 -22.33 78.79 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.873 -0.68 . . . . 0.53 112.351 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -96.69 -44.64 7.02 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.675 -0.491 . . . . 0.58 109.675 179.119 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -79.45 79.14 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.461 0.648 . . . . 1.4 109.959 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.66 70.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.033 -0.985 . . . . 1.3 111.463 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.38 -18.87 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.185 0.516 . . . . 2.8 111.034 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 63.98 52.26 2.11 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.985 -1.007 . . . . 2.72 111.817 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -108.48 8.76 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.108 0.48 . . . . 2.13 110.234 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 tt0 64.52 43.21 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.969 -1.014 . . . . 2.02 109.865 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 96.6 mt-30 -138.77 116.65 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.103 -0.953 . . . . 2.16 110.136 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -106.77 107.92 23.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.194 175.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.419 ' HA ' HD13 ' A' ' 28' ' ' LEU . 30.7 t70 -71.25 168.22 17.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.072 -0.513 . . . . 2.02 110.406 177.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.14 -31.15 66.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 2.17 110.934 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.2 tt0 -74.14 -36.33 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.365 0.603 . . . . 1.66 110.69 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -76.28 -29.01 57.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.493 0.663 . . . . 1.99 109.853 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' VAL . 45.3 t80 -70.59 -23.86 62.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.597 -0.729 . . . . 1.92 109.178 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.504 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.77 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.25 -0.886 . . . . 0.67 109.668 175.275 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.6 p -69.3 -24.21 63.91 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.21 -0.45 . . . . 0.74 110.453 174.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.65 HD11 HD21 ' A' ' 37' ' ' LEU . 8.1 tt -65.68 -41.73 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.425 -0.583 . . . . 1.15 109.425 174.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -64.31 -28.14 44.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 115.71 -0.677 . . . . 0.33 109.445 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.75 -51.93 67.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.125 0.488 . . . . 0.43 109.963 174.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.81 -37.63 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.507 -0.769 . . . . 0.4 110.275 175.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.808 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.27 -34.52 59.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.631 -0.713 . . . . 0.28 112.242 -176.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 97.3 mt -72.02 -34.54 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.447 0.641 . . . . 0.33 109.441 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -68.64 -30.58 69.32 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.268 -0.878 . . . . 1.67 109.976 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 81' ' ' ALA . . . -63.02 -39.5 94.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.998 0.427 . . . . 0.48 110.634 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -70.51 -55.39 9.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.747 -0.661 . . . . 0.57 112.162 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 83' ' ' LYS . 18.9 p-80 -86.11 -39.88 16.27 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.989 0.423 . . . . 2.68 111.82 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.549 ' HB3' ' O ' ' A' ' 83' ' ' LYS . 35.9 t80 -89.82 22.64 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.535 0.734 . . . . 1.8 109.786 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -46.34 20.47 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.238 1.94 . . . . 3.26 116.238 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.506 ' H ' ' C ' ' A' ' 87' ' ' TYR . 9.7 t -87.38 -8.85 56.13 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.368 -0.833 . . . . 1.26 111.259 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.59 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.2 t60 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 111.561 0.208 . . . . 3.47 111.561 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.468 ' CD ' ' HB3' ' A' ' 43' ' ' ASN . 3.9 mp0 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.785 0.802 . . . . 3.1 109.029 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.484 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 38.1 tt0 -60.93 -18.67 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.259 -1.337 . . . . 2.51 111.774 -174.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 79.0 m-70 -66.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.327 -0.62 . . . . 2.16 109.327 175.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.808 HD13 ' HB1' ' A' ' 81' ' ' ALA . 41.1 mt -64.89 -59.75 3.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.878 -1.055 . . . . 0.34 111.285 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.13 -21.68 66.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 2.41 110.749 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -69.91 -35.76 72.79 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.89 -0.671 . . . . 0.44 112.166 176.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.9 mm -66.93 -38.41 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.955 0.883 . . . . 1.16 109.549 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 85' ' ' ALA . 97.2 t -69.34 -41.37 80.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.882 -1.054 . . . . 0.57 111.802 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -80.08 -19.3 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.138 0.421 . . . . 1.42 112.138 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 pt -79.59 -31.81 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 119.978 -0.689 . . . . 2.06 110.137 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -69.11 -43.65 74.01 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 108.571 -0.899 . . . . 2.58 108.571 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -57.9 -32.65 67.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.74 -1.118 . . . . 2.23 110.055 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.675 -0.693 . . . . 2.77 112.304 -173.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' B' ' 68' ' ' GLN . 77.9 mt . . . . . 0 C--O 1.224 -0.268 0 N-CA-C 109.076 -0.712 . . . . 2.91 109.076 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.1 m -103.46 -172.69 2.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.845 0.683 . . . . 1.35 112.845 -170.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 24.8 ttmt -75.69 -24.81 56.31 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.992 -0.549 . . . . 1.32 111.555 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -58.38 14.88 Favored Glycine 0 N--CA 1.454 -0.117 0 C-N-CA 120.929 -0.653 . . . . 0.4 113.137 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.21 -38.41 91.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.991 0.424 . . . . 2.43 111.178 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 16.5 tp -55.09 -49.97 70.36 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.145 -0.934 . . . . 0.52 109.421 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 61.0 tttm -56.17 -46.9 79.16 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.65 -1.159 . . . . 1.87 111.365 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 1.3 mp0 -56.37 -59.95 4.22 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 110.215 -0.291 . . . . 2.45 110.215 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.15 -50.53 37.18 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 123.746 0.654 . . . . 0.45 110.827 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.647 HD21 HD11 ' B' ' 77' ' ' LEU . 94.8 mt -60.41 -49.76 76.28 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.042 -0.526 . . . . 0.45 112.344 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.599 HG22 ' HA ' ' B' ' 49' ' ' LYS . 46.4 p -70.43 -27.86 64.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.062 0.393 . . . . 1.23 112.062 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.3 ptmm? -97.72 -31.32 12.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.58 0.585 . . . . 1.62 112.58 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -101.07 -39.61 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 1.67 111.246 -172.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.52 20.51 18.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.801 -0.444 . . . . 1.42 109.801 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.84 -30.36 33.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.096 -0.956 . . . . 0.78 112.766 -176.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.455 ' HB3' ' CD ' ' A' ' 5' ' ' GLU . 65.6 t30 -115.92 26.19 10.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.979 0.418 . . . . 2.16 111.371 -173.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.403 HG21 ' CD1' ' A' ' 8' ' ' LEU . 2.9 m -118.87 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.236 0.541 . . . . 0.66 110.358 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 44.4 mt -81.44 132.45 31.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.367 -0.833 . . . . 0.6 109.97 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 1.9 pptp? -54.81 124.28 16.03 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 120.79 0.328 . . . . 1.61 110.67 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 48.84 43.7 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.306 -0.861 . . . . 1.48 111.525 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -62.01 -9.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.939 0.876 . . . . 0.56 110.206 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.599 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.5 OUTLIER -79.3 -13.01 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.9 -1.045 . . . . 1.11 109.95 178.074 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.39 128.02 35.2 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.646 -0.706 . . . . 1.59 111.122 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 21.6 tptp -64.48 -24.9 67.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.804 -1.089 . . . . 0.92 110.629 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -32.86 63.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 0.67 109.503 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.516 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -73.41 -44.39 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.182 -0.917 . . . . 0.6 109.079 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.43 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 73.5 mt -64.38 -37.56 80.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.9 -1.046 . . . . 0.42 111.398 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.633 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.3 OUTLIER -63.12 -44.17 96.36 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.27 -0.641 . . . . 1.53 109.27 -178.459 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -53.86 -45.36 70.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.658 -1.156 . . . . 1.77 111.297 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 41.9 mt -68.85 -56.95 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.546 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 2.6 t80 -49.06 -47.26 45.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.343 -0.844 . . . . 1.67 111.113 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.79 -31.49 72.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.021 -0.536 . . . . 1.91 111.064 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.18 -22.34 78.89 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.865 -0.683 . . . . 0.53 112.304 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.2 OUTLIER -96.84 -44.45 7.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.715 -0.476 . . . . 0.59 109.715 179.184 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -79.48 79.02 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.609 0.719 . . . . 1.4 109.96 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.65 70.32 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 1.31 111.467 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.58 -18.34 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.171 0.51 . . . . 2.8 111.082 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 63.45 52.79 2.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 114.939 -1.028 . . . . 2.72 111.756 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -109.06 8.76 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.167 0.508 . . . . 2.14 110.243 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.567 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 23.1 tt0 64.99 42.76 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 2.01 109.845 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 28' ' ' LEU . 96.7 mt-30 -138.36 116.77 11.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.224 -0.898 . . . . 2.16 110.095 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.6 t -106.73 107.94 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.901 -0.59 . . . . 1.81 110.182 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.405 ' HA ' HD13 ' B' ' 28' ' ' LEU . 31.0 t70 -70.9 168.1 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 2.02 110.4 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -58.21 -31.14 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.879 0.371 . . . . 2.18 110.967 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.508 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.1 tt0 -74.08 -36.37 64.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.461 0.648 . . . . 1.67 110.719 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.27 -29.14 57.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.501 0.667 . . . . 1.99 109.808 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' B' ' 78' ' ' VAL . 45.3 t80 -70.51 -23.89 62.73 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.53 -0.759 . . . . 1.92 109.176 171.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.8 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.246 -0.888 . . . . 0.67 109.556 175.481 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.59 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 1.5 p -69.54 -24.03 63.67 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.121 -0.49 . . . . 0.74 110.323 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.647 HD11 HD21 ' B' ' 37' ' ' LEU . 8.1 tt -65.74 -41.66 91.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.446 -0.576 . . . . 1.14 109.446 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.4 t -64.48 -28.16 44.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 115.625 -0.716 . . . . 0.33 109.36 176.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.77 -51.82 67.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.127 0.489 . . . . 0.43 110.043 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.537 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.81 -37.66 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.472 -0.785 . . . . 0.4 110.267 175.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.828 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.18 -34.58 59.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.692 -0.686 . . . . 0.28 112.265 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 97.4 mt -72.0 -34.53 68.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.433 0.635 . . . . 0.33 109.507 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -68.69 -30.55 69.24 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.151 -0.931 . . . . 1.67 109.953 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 81' ' ' ALA . . . -63.04 -39.48 94.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.119 0.485 . . . . 0.48 110.66 175.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -70.42 -55.47 8.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.748 -0.66 . . . . 0.57 112.196 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' B' ' 83' ' ' LYS . 18.7 p-80 -86.06 -40.2 15.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.995 0.426 . . . . 2.68 111.779 -174.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' B' ' 83' ' ' LYS . 35.2 t80 -89.49 22.7 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.511 0.724 . . . . 1.8 109.917 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -46.48 20.54 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.274 1.953 . . . . 3.27 116.274 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 87' ' ' TYR . 9.0 t -87.4 -8.62 56.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 121.494 -0.754 . . . . 1.27 111.272 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.595 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 18.6 t60 . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 111.608 0.225 . . . . 3.47 111.608 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.533 ' OE1' ' HB2' ' A' ' 7' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 121.297 0.57 . . . . 3.1 110.71 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.65 -27.82 37.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.47 -0.786 . . . . 2.51 111.259 -172.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.534 ' O ' HG13 ' A' ' 11' ' ' ILE . 47.7 m80 -80.02 -50.61 10.13 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.875 -0.417 . . . . 2.16 109.875 -175.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.868 HD13 ' HB1' ' B' ' 81' ' ' ALA . 75.0 mt -53.39 -60.82 2.81 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.483 0.659 . . . . 0.34 111.529 176.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -67.37 -22.43 65.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.065 -0.97 . . . . 2.41 110.417 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.597 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -72.03 -39.0 59.49 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.714 -0.676 . . . . 0.44 111.844 175.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 7' ' ' HIS . 80.4 mt -66.65 -44.8 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.726 -0.472 . . . . 1.16 109.726 177.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.694 HG21 ' HB3' ' B' ' 85' ' ' ALA . 39.4 t -50.05 -44.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.592 -0.731 . . . . 0.57 111.026 169.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -63.89 -42.56 97.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 1.42 111.071 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.1 mm -65.66 -36.44 77.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 121.008 0.432 . . . . 2.06 110.534 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -58.49 -32.13 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.944 -0.571 . . . . 2.57 110.317 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -85.62 -20.9 28.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 2.23 110.347 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 24.1 tp60 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 2.77 112.546 -171.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 121.268 0.556 . . . . 2.91 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -97.9 -171.71 2.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.428 -0.351 . . . . 1.35 111.062 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' CD ' ' HE3' ' A' ' 51' ' ' LYS . 24.8 ttmt -65.55 -25.78 67.58 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.77 -0.372 . . . . 1.32 110.679 -176.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -52.43 50.89 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 120.981 -0.628 . . . . 0.4 112.643 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.68 -42.76 81.6 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.105 0.479 . . . . 2.44 111.139 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 21.0 tp -64.17 -46.04 85.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.483 -0.78 . . . . 0.52 109.956 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HA ' HD13 ' A' ' 54' ' ' ILE . 15.4 tptp -52.76 -45.8 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 1.87 110.883 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.653 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 54.8 tt0 -59.02 -60.93 3.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.821 -0.627 . . . . 2.46 110.381 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.463 HD11 HG22 ' A' ' 14' ' ' ILE . 10.3 tt -53.91 -45.05 71.05 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.347 0.405 . . . . 0.45 111.384 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.0 mt -66.8 -50.32 63.0 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 112.417 0.525 . . . . 0.45 112.417 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.1 t -64.78 -28.94 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.23 111.322 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.05 -41.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.676 0.621 . . . . 1.61 112.676 -178.576 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 15.6 mm-40 -91.66 -39.15 12.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 1.67 111.481 -168.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.13 21.31 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.033 0.444 . . . . 1.42 110.04 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.404 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -50.28 -47.05 55.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.811 -1.086 . . . . 0.78 113.226 -172.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -108.68 29.35 7.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.307 0.575 . . . . 2.16 110.68 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.7 m -118.23 -56.24 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.66 110.499 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.5 mt -90.33 136.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.854 -0.612 . . . . 0.6 110.137 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.12 125.8 24.32 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.499 -0.319 . . . . 1.61 110.887 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.467 ' HB2' HG21 ' A' ' 53' ' ' VAL . 4.2 m-20 49.97 36.51 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 1.48 111.039 174.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.3 tp -63.35 -6.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 122.367 1.08 . . . . 0.55 109.985 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 47' ' ' ASN . 12.6 mmmm -85.4 -12.87 51.04 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.345 -1.298 . . . . 1.11 109.761 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -90.99 129.7 36.98 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.483 -0.78 . . . . 1.58 110.177 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.9 -21.2 66.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.002 -0.545 . . . . 0.92 110.562 176.672 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.87 -35.12 76.51 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.626 0.727 . . . . 0.67 109.129 175.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 25.1 t -81.08 -44.53 20.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.524 -1.216 . . . . 0.6 109.611 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 34' ' ' LYS . 38.9 mt -59.35 -32.48 48.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.448 -0.797 . . . . 0.42 110.582 174.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.03 -46.66 73.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.377 -0.829 . . . . 1.53 109.529 175.202 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 36.3 mm-40 -52.73 -45.23 66.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.14 -0.936 . . . . 1.77 111.061 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.58 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.22 -60.12 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.803 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.441 ' CE1' HG13 ' A' ' 69' ' ' VAL . 89.9 t80 -57.7 -44.75 86.08 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.569 -0.741 . . . . 1.68 110.994 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.03 -24.93 63.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 1.92 110.672 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.65 -25.16 76.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.584 -0.817 . . . . 0.53 111.828 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -97.12 -48.12 5.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.122 -0.696 . . . . 0.58 109.122 178.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.534 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 47.2 t0 -75.85 76.82 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.923 -1.035 . . . . 1.4 110.194 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.47 -19.18 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.423 -0.808 . . . . 1.3 110.597 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -81.57 -20.66 39.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.248 0.547 . . . . 2.8 110.295 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 62.44 33.81 15.93 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 114.927 -1.033 . . . . 2.72 111.439 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -102.37 2.04 36.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.32 0.581 . . . . 2.13 110.265 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 30.8 tt0 69.67 41.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 2.02 111.04 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -145.16 117.72 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.643 -0.708 . . . . 2.16 109.736 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG13 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -100.62 120.54 50.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.84 0.829 . . . . 1.81 111.392 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.3 174.1 8.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 2.02 110.587 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.13 -33.95 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 2.17 109.907 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 31.1 tt0 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.4 0.619 . . . . 1.66 110.836 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.534 ' OE1' ' HA ' ' A' ' 62' ' ' ASP . 38.5 mt-10 -71.98 -38.3 69.73 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.616 -0.72 . . . . 1.99 110.12 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.44 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 77.2 t80 -63.31 -30.94 71.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 1.92 109.974 171.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.8 mt -63.7 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.537 -0.756 . . . . 0.67 109.12 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.627 ' O ' HD13 ' A' ' 80' ' ' ILE . 49.9 m -66.31 -34.06 77.14 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.074 -0.966 . . . . 0.74 110.166 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.531 HD23 ' CG2' ' A' ' 57' ' ' ILE . 1.2 tm? -58.92 -45.42 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.426 -0.583 . . . . 1.15 109.426 175.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 15.9 t -65.83 -29.64 47.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.182 -0.463 . . . . 0.33 110.0 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.8 -51.1 70.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.054 -0.521 . . . . 0.43 109.975 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.11 -35.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.367 -0.833 . . . . 0.4 110.494 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.859 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -79.07 -34.52 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.755 -0.657 . . . . 0.28 112.377 -174.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.0 mt -70.33 -37.31 74.67 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.783 -0.821 . . . . 0.33 108.783 172.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.461 ' HD3' ' HB3' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -56.34 -37.83 70.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.301 -1.318 . . . . 1.67 109.639 170.778 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.04 -31.46 66.19 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.208 -0.905 . . . . 0.48 112.578 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.689 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.23 -55.92 4.07 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.764 -0.374 . . . . 0.57 111.679 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.532 ' HB2' HG22 ' B' ' 12' ' ' VAL . 44.0 t-80 -86.63 -44.22 12.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.719 -0.392 . . . . 2.68 111.809 -174.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.531 ' O ' HG22 ' A' ' 89' ' ' THR . 1.8 t80 -90.92 22.13 3.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.908 -0.404 . . . . 1.8 109.908 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -46.35 20.66 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 117.492 2.404 . . . . 3.26 117.492 -173.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 87' ' ' TYR . 2.0 t -62.89 -45.53 92.08 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.21 0.914 . . . . 1.26 112.346 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.331 0.586 . . . . 3.47 111.22 175.869 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.527 ' OE1' ' HB2' ' B' ' 7' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 121.481 0.658 . . . . 3.1 110.739 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.8 -27.55 36.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.279 -0.873 . . . . 2.51 111.274 -172.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.527 ' HB2' ' OE1' ' B' ' 5' ' ' GLU . 47.8 m80 -80.12 -50.63 10.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.86 -0.422 . . . . 2.16 109.86 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.859 HD13 ' HB1' ' A' ' 81' ' ' ALA . 76.4 mt -53.52 -60.85 2.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.414 0.626 . . . . 0.34 111.457 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -67.34 -22.6 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.054 -0.976 . . . . 2.41 110.304 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.596 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -71.85 -39.06 60.16 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.63 -0.714 . . . . 0.44 111.927 174.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 7' ' ' HIS . 80.2 mt -66.64 -44.83 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.81 -0.441 . . . . 1.16 109.81 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 85' ' ' ALA . 39.4 t -50.07 -44.73 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 0.57 110.938 169.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.94 -42.63 97.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.812 -0.631 . . . . 1.42 110.976 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.3 mm -65.47 -36.48 77.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.108 0.48 . . . . 2.06 110.642 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.77 -31.75 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.577 . . . . 2.58 110.314 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -85.74 -20.9 28.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.72 -0.673 . . . . 2.23 110.298 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.44 ' HB3' ' HA ' ' B' ' 14' ' ' ILE . 23.9 tp60 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 2.77 112.635 -171.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 28' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.289 0.566 . . . . 2.91 111.188 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -97.32 -171.68 2.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.382 -0.372 . . . . 1.35 111.146 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.485 ' CD ' ' HE3' ' B' ' 51' ' ' LYS . 25.0 ttmt -65.85 -25.52 67.24 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.71 -0.396 . . . . 1.32 110.728 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.08 -52.35 51.89 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.901 -0.666 . . . . 0.4 112.684 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.57 -42.87 81.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.163 -0.519 . . . . 2.43 111.146 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.545 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 21.1 tp -64.19 -45.82 86.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.436 -0.802 . . . . 0.52 109.948 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' B' ' 54' ' ' ILE . 15.3 tptp -53.01 -45.67 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.378 0.671 . . . . 1.87 110.767 176.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 54.5 tt0 -59.22 -60.94 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 2.45 110.25 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.465 HD11 HG22 ' B' ' 14' ' ' ILE . 10.3 tt -53.86 -44.93 70.77 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 123.405 0.441 . . . . 0.45 111.389 -177.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.9 mt -66.98 -50.25 62.87 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 112.415 0.524 . . . . 0.45 112.415 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 13.0 t -64.69 -29.12 70.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 1.23 111.257 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -96.96 -41.75 8.24 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.521 0.563 . . . . 1.62 112.521 -178.449 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.436 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 17.8 mm-40 -91.6 -39.12 12.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 1.67 111.441 -168.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -104.99 20.95 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.035 0.445 . . . . 1.42 110.092 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.23 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.843 -1.071 . . . . 0.78 113.17 -172.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.52 29.43 7.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.454 0.645 . . . . 2.16 110.677 -174.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.1 m -118.18 -56.74 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.023 0.44 . . . . 0.66 110.355 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.8 mt -89.78 136.51 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.935 -0.575 . . . . 0.6 110.103 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 125.95 25.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.488 -0.324 . . . . 1.61 110.924 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.479 ' HB2' HG21 ' B' ' 53' ' ' VAL . 4.2 m-20 49.82 36.51 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.552 -0.749 . . . . 1.48 111.038 174.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.2 tp -63.22 -6.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 122.348 1.07 . . . . 0.56 109.803 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' B' ' 47' ' ' ASN . 12.6 mmmm -85.53 -12.72 51.01 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.342 -1.299 . . . . 1.11 109.63 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.03 129.54 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 1.59 110.093 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -64.75 -21.21 66.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.051 -0.522 . . . . 0.92 110.566 176.586 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.61 -35.28 77.11 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.59 0.709 . . . . 0.67 109.243 175.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' B' ' 47' ' ' ASN . 25.1 t -81.09 -44.53 20.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.415 -1.266 . . . . 0.6 109.6 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 34' ' ' LYS . 38.9 mt -59.39 -32.2 48.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.408 -0.814 . . . . 0.42 110.625 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -67.33 -46.57 73.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.39 -0.823 . . . . 1.53 109.527 175.178 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 34.7 mm-40 -52.92 -45.43 67.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.181 -0.918 . . . . 1.77 110.916 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.572 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.91 -60.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.807 176.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.441 ' CE1' HG13 ' B' ' 69' ' ' VAL . 90.1 t80 -57.67 -44.9 86.07 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.682 -0.69 . . . . 1.67 111.009 -172.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.98 -25.0 63.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.042 -0.527 . . . . 1.91 110.644 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.64 -25.34 75.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.772 -0.728 . . . . 0.53 111.841 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -96.87 -48.55 5.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.024 -0.732 . . . . 0.59 109.024 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.524 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 48.5 t0 -75.59 77.24 2.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.046 -0.979 . . . . 1.4 110.182 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -19.22 61.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.392 -0.822 . . . . 1.31 110.47 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -81.58 -20.51 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 2.8 110.271 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 62.35 33.77 16.17 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 114.9 -1.045 . . . . 2.72 111.379 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -102.4 2.08 36.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.302 0.572 . . . . 2.14 110.333 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 30.8 tt0 69.87 40.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.043 -0.981 . . . . 2.01 111.113 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -144.61 117.67 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.681 -0.691 . . . . 2.16 109.803 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.441 HG13 ' CE1' ' B' ' 58' ' ' PHE . 15.0 m -100.61 120.26 49.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.79 0.805 . . . . 1.81 111.412 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.1 174.13 8.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.11 -0.95 . . . . 2.02 110.536 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -58.16 -33.92 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.87 -0.419 . . . . 2.18 109.87 176.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.486 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 31.1 tt0 -66.84 -41.48 87.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.521 0.677 . . . . 1.67 110.824 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.524 ' OE1' ' HA ' ' B' ' 62' ' ' ASP . 39.0 mt-10 -72.02 -38.4 69.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.698 -0.683 . . . . 1.99 110.199 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 77.3 t80 -63.19 -30.99 72.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.302 0.572 . . . . 1.92 109.95 171.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.8 mt -63.73 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.718 . . . . 0.67 109.22 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.626 ' O ' HD13 ' B' ' 80' ' ' ILE . 50.4 m -66.24 -33.86 76.72 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.118 -0.946 . . . . 0.74 110.221 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.533 HD23 ' CG2' ' B' ' 57' ' ' ILE . 1.2 tm? -59.2 -45.25 91.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.45 -0.574 . . . . 1.14 109.45 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 15.8 t -65.83 -29.74 47.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.208 -0.451 . . . . 0.33 109.955 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.57 -51.2 70.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.164 0.507 . . . . 0.43 110.036 173.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.14 -35.4 61.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.35 -0.841 . . . . 0.4 110.439 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.868 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -79.09 -34.49 43.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.726 -0.67 . . . . 0.28 112.378 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 76.5 mt -70.47 -37.17 74.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.805 -0.813 . . . . 0.33 108.805 172.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.482 ' HD3' ' HB3' ' B' ' 87' ' ' TYR . 0.1 OUTLIER -56.36 -37.82 70.58 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.38 -1.282 . . . . 1.67 109.711 170.685 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.76 66.44 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.173 -0.921 . . . . 0.48 112.495 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.694 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -82.99 -56.14 3.97 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.734 -0.387 . . . . 0.57 111.62 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.535 ' HB2' HG22 ' A' ' 12' ' ' VAL . 43.3 t-80 -86.31 -44.3 12.21 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.615 -0.434 . . . . 2.68 111.768 -174.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.529 ' O ' HG22 ' B' ' 89' ' ' THR . 1.8 t80 -90.94 22.32 3.71 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.944 -0.391 . . . . 1.8 109.944 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -46.46 20.76 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 117.488 2.403 . . . . 3.27 117.488 -173.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.529 HG22 ' O ' ' B' ' 87' ' ' TYR . 2.1 t -63.11 -45.61 91.19 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.17 0.896 . . . . 1.27 112.399 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 121.533 0.682 . . . . 3.47 111.221 175.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.146 0 N-CA-C 112.184 0.439 . . . . 3.1 112.184 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 14.5 tp10 -45.17 -40.15 6.87 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.321 0.489 . . . . 2.51 112.321 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.3 m170 -68.63 -63.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.177 -0.327 . . . . 2.16 110.89 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.843 HD13 ' HB1' ' B' ' 81' ' ' ALA . 57.3 mt -68.2 -59.74 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 0.34 111.494 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -71.12 -20.97 62.26 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.489 -0.778 . . . . 2.41 110.125 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -72.13 -33.75 61.95 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.795 -0.716 . . . . 0.44 112.132 174.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.4 mt -70.53 -34.13 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.867 0.841 . . . . 1.16 109.575 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' B' ' 85' ' ' ALA . 70.0 t -72.65 -26.65 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.282 -0.872 . . . . 0.57 109.894 174.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.385 -0.825 . . . . 1.42 110.774 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.8 pt -63.96 -32.98 59.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.182 0.515 . . . . 2.06 110.169 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 90.6 t80 -57.86 -37.66 74.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.035 -0.984 . . . . 2.57 110.281 174.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -85.52 -19.85 30.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 2.23 111.568 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 111.732 0.271 . . . . 2.77 111.732 -179.392 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.224 -0.285 0 N-CA-C 109.772 -0.455 . . . . 2.91 109.772 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 m -102.85 -179.29 3.92 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.524 -0.47 . . . . 1.35 110.573 177.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.2 ttmp? -61.34 -35.51 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.672 0.249 . . . . 1.32 111.672 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.45 -41.18 93.17 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.333 -0.46 . . . . 0.4 112.839 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -68.53 -41.91 79.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.385 0.612 . . . . 2.44 110.454 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.635 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.4 tp -64.19 -49.61 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.012 -0.995 . . . . 0.52 109.513 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 51.7 tttm -54.89 -41.52 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.331 -0.849 . . . . 1.87 111.185 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -54.9 -61.76 2.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.183 -0.462 . . . . 2.46 110.252 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -53.96 -46.25 71.58 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.099 0.476 . . . . 0.45 110.945 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -60.31 -51.11 70.9 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.831 -0.622 . . . . 0.45 112.357 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -67.58 -27.06 66.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.186 -0.461 . . . . 1.23 112.01 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -37.06 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.944 0.72 . . . . 1.61 112.944 -177.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -96.25 -47.07 6.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.104 0.478 . . . . 1.67 111.119 -172.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 8' ' ' LEU . 13.9 mt -100.11 21.54 12.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.777 -0.647 . . . . 1.42 110.022 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.46 -30.82 42.71 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 114.996 -1.002 . . . . 0.78 112.78 -175.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -119.01 21.38 12.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.306 0.574 . . . . 2.16 110.722 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.542 HG21 HD12 ' B' ' 8' ' ' LEU . 20.9 m -111.44 -60.84 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.968 0.413 . . . . 0.66 110.242 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 64.4 mt -85.77 138.89 18.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.501 -0.772 . . . . 0.6 110.006 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' O ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -53.29 126.99 22.99 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.336 0.398 . . . . 1.61 110.606 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 44.05 42.34 4.75 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.831 0.707 . . . . 1.48 111.647 174.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.523 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 8.9 tp -62.7 -5.9 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 122.097 0.951 . . . . 0.55 110.697 -178.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.4 OUTLIER -86.0 -11.65 52.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.049 -0.978 . . . . 1.11 109.853 178.808 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 130.9 34.45 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.449 -0.796 . . . . 1.58 111.186 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 23.7 tptm -66.13 -27.07 67.75 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.987 -1.006 . . . . 0.92 110.231 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -72.22 -35.17 68.8 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.498 0.666 . . . . 0.67 109.357 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 46' ' ' LYS . 41.4 t -72.61 -43.82 61.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.843 -1.071 . . . . 0.6 109.296 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 51.7 mt -65.21 -35.32 75.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.766 -1.106 . . . . 0.42 110.979 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 17.6 t70 -61.36 -52.61 63.92 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.427 -0.953 . . . . 1.53 108.427 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 27.6 mm-40 -46.85 -47.93 21.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.749 -1.114 . . . . 1.77 111.617 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.9 mt -68.54 -59.85 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.197 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.497 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 75.7 t80 -55.03 -44.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.724 -0.671 . . . . 1.68 111.166 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.79 -28.16 68.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.773 -0.649 . . . . 1.92 110.38 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.86 -25.37 71.9 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.53 112.379 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.38 -39.86 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.446 -0.576 . . . . 0.58 109.446 178.658 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -76.46 67.01 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 1.4 110.001 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.2 60.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 1.3 110.734 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.76 -9.96 59.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 2.8 110.723 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 61.07 43.49 11.23 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.012 -0.994 . . . . 2.72 112.216 172.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.97 -3.9 28.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.292 -0.413 . . . . 2.13 110.601 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 3.9 tp10 65.64 30.79 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.194 -0.912 . . . . 2.02 108.647 -174.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.58 10.11 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.746 -1.116 . . . . 2.16 109.954 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.476 HG13 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -96.31 135.05 31.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.451 0.643 . . . . 1.81 110.814 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -96.24 -171.42 2.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 2.02 110.315 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.99 -40.29 97.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 2.17 110.927 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.478 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 46.1 tt0 -77.95 -32.06 51.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 1.66 111.11 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 76' ' ' SER . 3.7 mm-40 -69.05 -34.67 75.55 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.918 -0.771 . . . . 1.99 108.918 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 56.4 t80 -64.77 -29.34 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.398 -0.819 . . . . 1.92 109.872 172.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.543 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.0 OUTLIER -66.67 -37.86 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.585 -0.734 . . . . 0.67 109.289 174.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.62 ' O ' HD13 ' A' ' 80' ' ' ILE . 66.7 m -62.35 -37.31 85.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.474 -0.784 . . . . 0.74 109.942 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.626 HD22 HD11 ' A' ' 33' ' ' LEU . 7.4 tp -54.5 -46.98 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.118 0.485 . . . . 1.15 110.478 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.59 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.8 t -64.52 -30.7 50.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.455 -0.793 . . . . 0.33 109.965 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.76 -49.01 79.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.398 0.618 . . . . 0.43 109.937 174.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.75 -40.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.06 -0.973 . . . . 0.4 110.4 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.86 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.41 -33.41 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 0.28 112.326 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.8 mt -69.12 -34.04 74.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.907 -0.775 . . . . 0.33 108.907 173.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 7.9 mttt -73.67 -19.65 60.77 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.024 -0.989 . . . . 1.67 110.651 174.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 81' ' ' ALA . . . -72.04 -28.15 63.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.472 0.653 . . . . 0.48 109.528 172.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.619 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -82.84 -56.11 4.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.387 -0.824 . . . . 0.57 111.792 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.471 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 18.5 p80 -85.75 -44.6 12.37 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.48 -0.488 . . . . 2.68 112.129 -175.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' THR . 6.5 t80 -90.15 21.83 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.952 0.501 . . . . 1.8 109.745 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -48.97 18.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.479 2.029 . . . . 3.26 116.479 -173.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' TYR . 3.8 t -68.58 -41.93 78.97 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.692 0.678 . . . . 1.26 111.276 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 64.8 m80 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.034 0.445 . . . . 3.47 111.35 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.138 0 N-CA-C 112.228 0.455 . . . . 3.1 112.228 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.477 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 14.4 tp10 -45.32 -40.17 7.45 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.282 0.475 . . . . 2.51 112.282 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.468 ' O ' HG13 ' B' ' 11' ' ' ILE . 40.4 m170 -68.71 -63.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.968 -0.293 . . . . 2.16 110.851 -177.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.86 HD13 ' HB1' ' A' ' 81' ' ' ALA . 56.9 mt -68.36 -59.61 3.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.41 0.624 . . . . 0.34 111.487 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.12 -21.08 62.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.433 -0.803 . . . . 2.41 110.112 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.477 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -72.04 -33.72 62.25 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.44 112.199 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.3 mt -70.5 -34.1 56.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.883 0.849 . . . . 1.16 109.563 174.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 85' ' ' ALA . 70.9 t -72.88 -26.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.226 -0.897 . . . . 0.57 109.832 174.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 1.42 110.723 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 pt -63.78 -33.04 59.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.234 0.54 . . . . 2.06 110.199 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' B' ' 12' ' ' VAL . 90.6 t80 -57.92 -37.68 74.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.966 -1.015 . . . . 2.58 110.215 174.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -85.36 -19.83 30.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 2.23 111.587 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 . . . . . 0 C--N 1.327 -0.389 0 N-CA-C 111.876 0.325 . . . . 2.77 111.876 -179.47 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.458 HD22 ' N ' ' B' ' 28' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.223 -0.302 0 N-CA-C 109.82 -0.437 . . . . 2.91 109.82 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -102.76 -179.5 3.98 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.504 -0.478 . . . . 1.35 110.575 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.479 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.2 ttmp? -61.15 -35.63 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.723 0.268 . . . . 1.32 111.723 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.2 -41.09 92.62 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.259 -0.496 . . . . 0.4 113.018 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -68.76 -41.85 78.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.352 0.596 . . . . 2.43 110.38 -177.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.646 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 36.5 tp -64.05 -49.79 70.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.078 -0.964 . . . . 0.52 109.445 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.442 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 51.6 tttm -54.74 -41.38 70.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 1.87 111.231 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -55.02 -61.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.497 . . . . 2.45 110.261 175.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.404 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -53.91 -46.2 71.39 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.467 0.48 . . . . 0.45 110.879 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.2 mt -60.41 -51.1 70.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.881 -0.6 . . . . 0.45 112.276 -176.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.448 HG22 ' HA ' ' B' ' 49' ' ' LYS . 25.4 p -67.46 -27.12 66.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.197 -0.456 . . . . 1.23 112.049 -174.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 -36.7 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.922 0.712 . . . . 1.62 112.922 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -96.35 -47.17 6.11 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.124 0.488 . . . . 1.67 111.121 -172.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 8' ' ' LEU . 14.0 mt -100.13 21.45 12.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.781 -0.645 . . . . 1.42 109.979 -173.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.514 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.35 -31.04 42.62 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.032 -0.986 . . . . 0.78 112.8 -175.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -118.94 21.63 12.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.281 0.562 . . . . 2.16 110.625 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.548 HG21 HD12 ' A' ' 8' ' ' LEU . 20.8 m -111.65 -60.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 0.66 110.338 -179.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.486 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 64.0 mt -85.48 138.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.508 -0.769 . . . . 0.6 110.081 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.479 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -53.05 126.76 21.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 123.292 0.37 . . . . 1.61 110.656 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 44.2 42.59 5.18 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.999 0.812 . . . . 1.48 111.687 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.514 ' CG2' ' HA ' ' B' ' 42' ' ' ALA . 8.9 tp -63.11 -5.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 122.129 0.966 . . . . 0.56 110.662 -177.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.448 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.4 OUTLIER -86.03 -11.52 52.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.876 -1.056 . . . . 1.11 109.752 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.76 130.76 34.47 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.509 -0.768 . . . . 1.59 111.134 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -66.11 -26.88 67.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.99 -1.004 . . . . 0.92 110.225 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -72.63 -34.56 67.4 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.454 0.645 . . . . 0.67 109.413 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.479 HG11 ' O ' ' B' ' 46' ' ' LYS . 41.0 t -73.0 -43.86 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.895 -1.048 . . . . 0.6 109.211 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 51.5 mt -65.27 -35.4 75.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.624 -1.171 . . . . 0.42 110.924 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 18.4 t70 -61.13 -52.81 63.31 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.394 -0.965 . . . . 1.53 108.394 177.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 29.6 mm-40 -46.67 -47.98 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.645 -1.162 . . . . 1.77 111.615 175.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 65.5 mt -68.54 -59.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.139 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.479 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 76.4 t80 -55.21 -44.7 75.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.652 -0.704 . . . . 1.67 111.119 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.85 -28.15 68.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 1.91 110.426 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.85 -25.2 72.37 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.53 112.45 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.76 -39.57 10.68 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.403 -0.591 . . . . 0.59 109.403 178.573 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -76.66 66.86 2.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.687 0.756 . . . . 1.4 109.934 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.42 -23.52 61.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.73 . . . . 1.31 110.658 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -9.41 59.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.612 -0.722 . . . . 2.8 110.725 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 60.62 43.59 12.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.013 -0.994 . . . . 2.72 112.217 172.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.03 -4.0 28.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 2.14 110.646 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.411 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 3.9 tp10 65.91 30.49 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.606 -0.887 . . . . 2.01 108.606 -174.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.4 10.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.736 -1.12 . . . . 2.16 109.984 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.474 HG13 ' CE1' ' B' ' 58' ' ' PHE . 14.7 m -96.17 134.97 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.4 0.619 . . . . 1.81 110.889 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -95.98 -171.38 2.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.488 -0.778 . . . . 2.02 110.404 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.22 -40.12 96.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.139 0.495 . . . . 2.18 110.851 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.491 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 45.8 tt0 -78.0 -32.31 51.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.032 -0.531 . . . . 1.67 111.104 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.908 -0.775 . . . . 1.99 108.908 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 56.6 t80 -64.72 -29.33 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 1.92 109.88 172.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -66.62 -37.91 80.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.67 109.276 174.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.617 ' O ' HD13 ' B' ' 80' ' ' ILE . 68.9 m -62.39 -37.35 85.43 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.393 -0.822 . . . . 0.74 109.876 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.636 HD22 HD11 ' B' ' 33' ' ' LEU . 7.4 tp -54.57 -46.8 73.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.025 0.441 . . . . 1.14 110.407 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.588 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 11.0 t -64.62 -30.83 51.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 115.561 -0.745 . . . . 0.33 109.832 -177.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.7 -49.04 79.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.419 0.628 . . . . 0.43 109.886 174.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.617 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.81 -40.03 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.11 -0.95 . . . . 0.4 110.357 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.843 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.32 -33.59 55.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.889 -0.596 . . . . 0.28 112.286 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.08 -34.06 74.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.722 0.772 . . . . 0.33 108.928 173.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.543 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 7.7 mttt -73.54 -19.81 60.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.967 -1.015 . . . . 1.67 110.63 173.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 81' ' ' ALA . . . -71.79 -28.55 63.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.516 0.674 . . . . 0.48 109.55 172.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.623 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -82.68 -56.1 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.405 -0.816 . . . . 0.57 111.683 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.475 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 17.9 p80 -85.68 -44.56 12.46 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.492 -0.483 . . . . 2.68 112.176 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.463 ' C ' ' H ' ' B' ' 89' ' ' THR . 6.4 t80 -90.11 21.6 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.91 0.484 . . . . 1.8 109.738 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -48.66 18.73 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.677 2.103 . . . . 3.27 116.677 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.463 ' H ' ' C ' ' B' ' 87' ' ' TYR . 3.6 t -68.25 -42.43 79.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 118.709 0.686 . . . . 1.27 111.15 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 64.3 m80 . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 120.823 0.344 . . . . 3.47 111.427 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.733 0.301 . . . . 3.1 110.854 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.11 -35.97 49.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.406 0.682 . . . . 2.51 112.423 -173.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.493 ' O ' HG13 ' A' ' 11' ' ' ILE . 17.7 m170 -70.13 -62.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.0 -0.437 . . . . 2.16 110.855 -177.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.895 HD13 ' HB1' ' B' ' 81' ' ' ALA . 37.2 mt -66.59 -58.14 5.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.117 0.484 . . . . 0.34 111.586 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.37 -26.24 67.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.683 -0.689 . . . . 2.41 110.084 -175.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.25 -34.67 54.46 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.202 -0.523 . . . . 0.44 112.633 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 7' ' ' HIS . 83.7 mt -70.32 -37.1 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.853 0.835 . . . . 1.16 109.34 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' B' ' 85' ' ' ALA . 68.4 t -69.66 -26.64 31.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.288 -0.869 . . . . 0.57 110.116 174.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.42 -41.82 72.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.421 -0.808 . . . . 1.42 110.862 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.439 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 26.2 pt -69.85 -31.38 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.57 -0.452 . . . . 2.06 110.677 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 42.1 t80 -59.31 -48.47 81.51 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.083 -0.71 . . . . 2.57 109.083 170.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -62.81 -23.5 67.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.857 -1.065 . . . . 2.23 110.704 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 6.1 tp-100 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 2.77 111.039 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.382 0.61 . . . . 2.91 112.171 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 p -97.7 -172.05 2.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.906 -1.043 . . . . 1.35 111.526 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.608 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 16.4 ttmt -58.19 -36.75 73.55 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.027 0.38 . . . . 1.32 112.027 -173.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.07 -40.69 91.8 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.011 -0.614 . . . . 0.4 113.134 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.07 -36.72 64.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.123 0.487 . . . . 2.44 110.817 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 30.1 tp -67.51 -44.07 79.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 0.52 108.998 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.3 70.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.874 -1.057 . . . . 1.87 110.484 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.4 tt0 -55.76 -60.11 3.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.76 -0.655 . . . . 2.46 110.193 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.41 ' C ' HD23 ' A' ' 36' ' ' LEU . 7.7 tt -53.23 -46.42 69.11 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.061 0.458 . . . . 0.45 111.07 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 92.1 mt -65.5 -48.22 73.31 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.237 0.458 . . . . 0.45 112.237 -174.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 49' ' ' LYS . 35.9 p -68.14 -28.48 67.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.492 -0.322 . . . . 1.23 111.841 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.2 ptmt -97.08 -35.84 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.654 0.613 . . . . 1.61 112.654 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 5.5 mm-40 -98.07 -38.02 9.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.791 0.329 . . . . 1.67 111.733 -169.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.78 24.14 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.568 -0.53 . . . . 1.42 109.568 -177.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.8 -29.75 29.37 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.059 -0.973 . . . . 0.78 113.341 -173.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -122.0 31.93 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.144 0.497 . . . . 2.16 111.224 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -118.98 -66.45 1.07 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.332 0.587 . . . . 0.66 110.222 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 40.1 mt -76.94 132.74 32.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.237 -0.892 . . . . 0.6 109.95 -177.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 126.75 24.09 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.269 0.356 . . . . 1.61 110.732 -178.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 46.56 42.38 11.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.409 -0.814 . . . . 1.48 111.671 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.0 tp -62.63 -7.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.044 0.926 . . . . 0.55 110.38 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.7 OUTLIER -84.51 -13.47 51.83 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.944 -1.025 . . . . 1.11 109.97 178.4 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.63 131.41 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.567 -0.742 . . . . 1.58 111.355 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.608 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -64.59 -29.18 70.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.667 -1.151 . . . . 0.92 110.632 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.1 -33.02 73.74 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.636 0.731 . . . . 0.67 109.36 177.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 57' ' ' ILE . 41.6 t -76.82 -47.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.639 -1.164 . . . . 0.6 109.521 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 58.5 mt -60.63 -43.29 94.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.106 -0.952 . . . . 0.42 111.896 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 13.7 t70 -60.96 -49.95 75.37 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.927 -0.579 . . . . 1.53 109.834 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.29 -46.22 24.81 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.41 -0.814 . . . . 1.77 111.331 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 53' ' ' VAL . 55.6 mt -72.43 -57.47 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.13 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 t80 -54.83 -44.84 74.26 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.795 -0.639 . . . . 1.68 111.06 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -63.47 -29.43 70.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.01 -0.541 . . . . 1.92 110.331 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.77 -31.57 76.15 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.796 -0.716 . . . . 0.53 112.623 174.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -89.55 -38.87 13.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.87 -0.418 . . . . 0.58 109.87 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.2 72.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.31 -0.859 . . . . 1.4 110.186 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.01 70.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.947 -1.024 . . . . 1.3 111.468 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -74.27 -16.17 60.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 2.8 110.939 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 64.25 28.15 13.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.21 -0.904 . . . . 2.72 111.61 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -98.69 4.93 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 2.13 109.853 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 62.69 50.51 3.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.981 -1.008 . . . . 2.02 109.53 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -137.91 119.6 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.5 -0.773 . . . . 2.16 110.445 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.88 116.52 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.371 0.605 . . . . 1.81 111.097 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.06 171.63 12.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 2.02 110.572 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -54.73 -43.64 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.437 . . . . 2.17 110.734 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.529 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 30.4 tt0 -69.29 -35.58 76.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.635 0.731 . . . . 1.66 110.629 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -77.0 -29.67 55.56 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.447 -0.797 . . . . 1.99 109.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' A' ' 78' ' ' VAL . 83.8 t80 -68.38 -29.5 68.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.219 -0.66 . . . . 1.92 109.219 169.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.529 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.5 mt -64.79 -36.95 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.84 . . . . 0.67 108.731 173.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.64 ' O ' HD13 ' A' ' 80' ' ' ILE . 32.2 m -66.71 -36.56 82.77 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.224 -0.898 . . . . 0.74 109.754 174.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.9 tm? -57.53 -45.14 85.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.705 -0.48 . . . . 1.15 109.705 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 74' ' ' PHE . 11.3 t -66.56 -30.26 49.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-N 116.182 -0.463 . . . . 0.33 109.868 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.39 -49.21 77.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.333 0.587 . . . . 0.43 110.114 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.64 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.08 -36.41 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.387 -0.824 . . . . 0.4 110.271 176.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.887 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.31 -35.83 54.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.887 -0.597 . . . . 0.28 111.991 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -69.49 -31.98 70.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.849 0.833 . . . . 0.33 109.03 173.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HG2' ' NE2' ' A' ' 86' ' ' HIS . 8.7 mttt -75.25 -20.33 59.26 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.038 -0.983 . . . . 1.67 110.563 173.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 81' ' ' ALA . . . -69.57 -31.76 70.12 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.502 0.668 . . . . 0.48 109.533 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -80.01 -57.15 3.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.511 -0.768 . . . . 0.57 111.554 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 3.2 p80 -82.33 -44.18 16.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.438 -0.505 . . . . 2.68 111.673 -175.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.504 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.0 t80 -88.94 22.6 2.65 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 123.098 0.559 . . . . 1.8 109.812 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -48.54 18.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.798 1.777 . . . . 3.26 115.798 -176.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.504 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.0 t -74.64 -38.95 62.36 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.524 -0.735 . . . . 1.26 110.778 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.0 m80 . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 120.94 0.4 . . . . 3.47 111.556 -179.578 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.749 0.309 . . . . 3.1 110.792 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.66 -35.93 55.98 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.752 -0.658 . . . . 2.51 112.436 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.49 ' O ' HG13 ' B' ' 11' ' ' ILE . 17.7 m170 -70.16 -61.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.114 -0.366 . . . . 2.16 110.876 -177.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.887 HD13 ' HB1' ' A' ' 81' ' ' ALA . 36.9 mt -66.73 -57.96 6.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.064 0.459 . . . . 0.34 111.57 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.42 -26.19 67.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.799 -0.637 . . . . 2.41 110.1 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -34.76 53.86 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.16 -0.543 . . . . 0.44 112.654 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.5 mt -70.12 -37.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.842 0.829 . . . . 1.16 109.352 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 85' ' ' ALA . 69.4 t -69.82 -26.4 30.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.269 -0.878 . . . . 0.57 110.12 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -70.67 -41.53 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.485 -0.78 . . . . 1.42 110.867 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 26.3 pt -70.07 -31.4 47.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 120.564 -0.454 . . . . 2.06 110.664 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.21 -48.5 81.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.147 -0.686 . . . . 2.58 109.147 170.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -62.82 -23.04 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.864 -1.062 . . . . 2.23 110.744 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 6.1 tp-100 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 2.77 111.062 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.432 HD22 ' N ' ' B' ' 28' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.423 0.63 . . . . 2.91 112.168 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -97.34 -172.04 2.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.006 -0.997 . . . . 1.35 111.603 -176.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.603 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 16.3 ttmt -58.23 -36.51 73.28 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.102 0.408 . . . . 1.32 112.102 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.42 -40.44 92.14 Favored Glycine 0 C--N 1.329 0.154 0 C-N-CA 120.869 -0.681 . . . . 0.4 113.139 -177.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.99 -36.62 64.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.085 0.469 . . . . 2.43 110.913 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 30.2 tp -67.44 -44.19 79.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.909 -0.775 . . . . 0.52 108.909 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.27 70.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.812 -1.086 . . . . 1.87 110.509 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 33.1 tt0 -55.54 -60.11 3.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.758 -0.655 . . . . 2.45 110.203 175.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.405 HD23 ' C ' ' B' ' 36' ' ' LEU . 7.7 tt -53.35 -46.59 69.58 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.115 0.483 . . . . 0.45 110.923 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 92.7 mt -65.35 -48.23 73.72 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 112.34 0.496 . . . . 0.45 112.34 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.544 HG22 ' HA ' ' B' ' 49' ' ' LYS . 35.7 p -68.09 -28.47 67.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.475 -0.33 . . . . 1.23 111.796 -175.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.459 ' HG3' ' HG2' ' B' ' 40' ' ' GLU . 17.3 ptmt -97.11 -35.71 10.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.705 0.631 . . . . 1.62 112.705 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.459 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 5.6 mm-40 -98.08 -38.31 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.674 0.273 . . . . 1.67 111.623 -169.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.7 24.25 13.3 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.571 -0.529 . . . . 1.42 109.571 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.63 -30.25 30.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.081 -0.963 . . . . 0.78 113.373 -173.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -121.65 31.94 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.208 0.528 . . . . 2.16 111.153 -173.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.4 m -119.14 -66.32 1.08 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.297 0.57 . . . . 0.66 110.125 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 40.8 mt -76.9 133.05 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.296 -0.865 . . . . 0.6 109.881 -177.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 126.37 22.97 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.168 0.292 . . . . 1.61 110.725 -178.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 46.7 42.36 11.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.995 0.809 . . . . 1.48 111.615 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -62.53 -6.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.979 0.895 . . . . 0.56 110.421 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.5 -13.77 50.98 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.965 -1.016 . . . . 1.11 109.962 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.33 130.94 35.0 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.568 -0.742 . . . . 1.59 111.401 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.603 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -64.42 -28.96 70.04 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.724 -1.125 . . . . 0.92 110.72 178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.42 74.62 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.47 0.652 . . . . 0.67 109.341 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.538 ' O ' HG13 ' B' ' 57' ' ' ILE . 41.5 t -76.57 -47.88 28.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.536 -1.211 . . . . 0.6 109.504 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.48 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 58.5 mt -60.72 -43.43 95.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 0.42 111.86 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' B' ' 30' ' ' LYS . 16.1 t70 -60.9 -49.79 76.05 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 116.058 -0.519 . . . . 1.53 109.726 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -47.3 -46.5 25.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.355 -0.838 . . . . 1.77 111.287 175.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 53' ' ' VAL . 55.3 mt -72.4 -57.22 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.155 -177.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.95 -44.69 74.56 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.843 -0.617 . . . . 1.67 111.129 -177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -63.59 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.025 -0.534 . . . . 1.91 110.364 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.86 -31.11 74.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.856 -0.688 . . . . 0.53 112.503 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' B' ' 77' ' ' LEU . 0.1 OUTLIER -90.02 -38.8 13.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.083 0.441 . . . . 0.59 109.811 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.4 73.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.922 0.867 . . . . 1.4 110.143 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.02 -31.86 69.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 1.31 111.539 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -74.01 -17.0 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.141 -0.482 . . . . 2.8 110.884 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 64.83 27.97 12.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.304 -0.862 . . . . 2.72 111.542 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -98.74 4.96 47.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 2.14 109.784 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 62.74 50.48 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.944 -1.025 . . . . 2.01 109.596 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -138.08 119.25 14.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 2.16 110.421 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.43 116.47 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 1.81 111.194 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.06 171.68 12.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 2.02 110.648 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -54.75 -43.69 72.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.988 0.423 . . . . 2.18 110.715 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.52 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 30.8 tt0 -69.15 -35.73 76.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.784 0.802 . . . . 1.67 110.583 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.93 -29.71 55.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.325 -0.852 . . . . 1.99 109.879 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' B' ' 78' ' ' VAL . 83.9 t80 -68.33 -29.66 68.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.18 -0.674 . . . . 1.92 109.18 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.52 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.5 mt -64.59 -37.2 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.679 -0.86 . . . . 0.67 108.679 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.633 ' O ' HD13 ' B' ' 80' ' ' ILE . 35.1 m -66.66 -36.33 82.28 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.191 -0.913 . . . . 0.74 109.848 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.9 tm? -57.65 -45.13 85.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.708 -0.479 . . . . 1.14 109.708 175.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 74' ' ' PHE . 11.5 t -66.65 -30.13 48.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 N-CA-C 109.774 -0.454 . . . . 0.33 109.774 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.48 -49.08 78.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 0.43 110.073 175.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.16 -36.51 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.382 -0.827 . . . . 0.4 110.295 176.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.895 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.18 -35.92 55.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.849 -0.614 . . . . 0.28 111.986 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.42 -32.04 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.803 0.811 . . . . 0.33 109.015 173.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.598 ' HG2' ' NE2' ' B' ' 86' ' ' HIS . 8.8 mttt -75.37 -20.18 59.12 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.059 -0.973 . . . . 1.67 110.631 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 81' ' ' ALA . . . -69.56 -31.85 70.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.262 0.553 . . . . 0.48 109.603 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.601 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -79.9 -57.12 3.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.587 -0.733 . . . . 0.57 111.501 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.598 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 2.9 p80 -82.22 -44.09 16.8 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.943 -0.473 . . . . 2.68 111.771 -175.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' TYR . . . . . 0.506 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.5 t80 -89.21 22.56 2.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 123.208 0.603 . . . . 1.8 109.884 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -48.47 18.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.792 1.775 . . . . 3.27 115.792 -177.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.506 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.0 t -75.01 -38.37 61.56 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.39 -0.819 . . . . 1.27 110.913 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 3.47 111.52 -179.736 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.876 0.369 . . . . 6.42 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.5 m -76.86 115.28 16.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 4.25 111.365 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -121.36 7.0 10.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.02 -0.536 . . . . 6.05 109.765 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 14.3 tp 58.77 -103.36 0.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.843 -1.071 . . . . 4.5 111.262 174.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.523 ' HG3' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -128.81 10.45 6.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.022 0.439 . . . . 3.1 111.131 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 22.8 tt0 -65.13 -19.23 65.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.51 110.471 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.8 -26.0 34.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.302 -0.408 . . . . 2.16 111.111 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.769 HD13 ' HB1' ' B' ' 81' ' ' ALA . 77.4 mt -82.61 -61.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.924 -0.31 . . . . 0.34 110.643 178.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.497 ' HG2' ' HB1' ' B' ' 85' ' ' ALA . 27.5 mt-10 -67.87 -21.62 65.15 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.433 -0.507 . . . . 2.41 109.834 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.524 ' HA2' ' ND2' ' A' ' 13' ' ' ASN . . . -63.37 -53.86 36.28 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.517 -0.765 . . . . 0.44 112.172 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.14 -36.78 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.089 0.471 . . . . 1.16 110.271 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.485 HG21 ' HB3' ' B' ' 85' ' ' ALA . 55.3 t -61.4 -50.0 82.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.608 -0.723 . . . . 0.57 112.004 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.524 ' ND2' ' HA2' ' A' ' 10' ' ' GLY . 7.7 p30 -73.26 -23.6 60.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.177 -0.609 . . . . 1.42 110.418 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.3 mt -63.74 -47.32 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 2.06 110.164 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' HD2' ' CD2' ' A' ' 71' ' ' PHE . 28.8 t80 -62.27 -39.68 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.079 0.466 . . . . 2.57 110.0 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -64.55 -26.26 68.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 2.23 111.104 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -86.7 -43.87 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 2.77 111.948 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.518 ' HB2' HD12 ' A' ' 36' ' ' LEU . 95.4 m-85 -86.9 -23.09 25.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.035 0.445 . . . . 6.25 110.491 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' A' ' 32' ' ' GLU . 19.2 m -114.21 85.11 2.16 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.509 0.671 . . . . 3.01 109.297 175.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.22 -26.32 2.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.222 -0.899 . . . . 4.13 111.154 -172.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -91.83 111.72 23.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.631 -0.428 . . . . 7.28 110.785 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HG2' ' HA ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -139.97 -175.8 4.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.909 -0.587 . . . . 8.7 110.827 178.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.17 -129.07 0.94 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.639 -0.791 . . . . 5.67 112.52 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -79.87 -37.4 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.344 0.593 . . . . 8.27 109.628 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -105.8 171.13 7.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.207 -0.906 . . . . 7.5 108.715 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' HA ' ' HG2' ' A' ' 22' ' ' LYS . 34.3 m-20 -76.06 73.38 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.893 0.378 . . . . 5.62 110.316 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -66.16 -55.23 17.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.486 -0.779 . . . . 3.94 110.594 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 59.0 mt 53.09 72.3 0.43 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.78 0.8 . . . . 2.91 110.628 175.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 m -80.42 -171.72 3.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.156 -0.929 . . . . 1.35 112.087 -174.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.2 -23.27 66.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 1.32 111.773 -173.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.96 80.7 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.854 -0.689 . . . . 0.4 112.653 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.541 ' HB3' ' HA ' ' A' ' 19' ' ' SER . 9.8 mm-40 -70.12 -39.73 75.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 2.44 110.712 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.7 tp -64.0 -50.15 69.65 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.69 -0.687 . . . . 0.52 110.199 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 54' ' ' ILE . 25.8 tptt -51.3 -43.88 61.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 1.87 110.706 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -59.9 -58.56 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 2.46 110.544 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.518 HD12 ' HB2' ' A' ' 18' ' ' TYR . 9.0 tt -54.26 -45.85 72.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 120.991 0.424 . . . . 0.45 110.732 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.8 mt -63.0 -50.65 69.89 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.613 0.597 . . . . 0.45 112.613 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 11.2 t -67.74 -27.67 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.18 -0.208 . . . . 1.23 111.527 -174.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -97.37 -30.5 12.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.199 0.815 . . . . 1.61 113.199 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 26.6 mm-40 -97.17 -49.49 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.427 0.632 . . . . 1.67 110.864 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' B' ' 8' ' ' LEU . 7.8 mp -95.74 18.59 12.74 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.759 -0.655 . . . . 1.42 111.29 -172.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.84 -25.79 21.26 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.323 0.861 . . . . 0.78 113.323 -175.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -109.26 -2.86 17.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 2.16 111.694 -174.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.7 -62.21 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.567 . . . . 0.66 111.053 -170.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 45.4 mt -82.08 138.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.501 -0.772 . . . . 0.6 110.196 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.83 123.05 14.42 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.185 -0.461 . . . . 1.61 109.947 -178.007 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.495 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.7 m120 46.62 43.73 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 1.48 111.74 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.8 tp -62.43 -4.58 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.927 0.87 . . . . 0.55 110.782 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -80.93 -24.07 38.43 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.402 -0.817 . . . . 1.11 109.581 179.039 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.59 126.99 31.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.715 -1.129 . . . . 1.58 111.087 -176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.38 -25.63 68.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.052 -0.976 . . . . 0.92 110.06 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.37 -36.65 74.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.67 109.463 176.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.8 t -72.74 -45.59 56.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.013 -0.994 . . . . 0.6 109.212 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 34' ' ' LYS . 42.6 mt -65.02 -35.0 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.569 -1.196 . . . . 0.42 111.386 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.9 t70 -62.7 -52.65 62.46 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.814 -0.81 . . . . 1.53 108.814 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 33.2 mm-40 -48.43 -46.45 37.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.524 -1.217 . . . . 1.77 111.616 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.522 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 73.5 mt -71.55 -51.65 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.29 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 69' ' ' VAL . 78.6 t80 -53.45 -46.97 70.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.916 -0.584 . . . . 1.68 110.325 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 13.7 mm100 -65.89 -27.35 68.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.297 -0.865 . . . . 1.92 110.371 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.79 -26.91 71.77 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.774 -0.648 . . . . 0.53 112.2 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -91.18 -41.54 10.94 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.885 -0.783 . . . . 0.58 108.885 178.331 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -81.2 70.69 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.945 -1.025 . . . . 1.4 110.222 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.19 -16.3 63.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.331 -0.849 . . . . 1.3 109.341 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.74 -20.31 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.705 -1.134 . . . . 2.8 110.201 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 58.64 39.07 24.98 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.162 -0.926 . . . . 2.72 110.393 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -123.35 4.22 9.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 2.13 110.816 -174.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.44 47.69 2.23 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.177 -0.92 . . . . 2.02 110.794 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.36 118.16 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 2.16 111.131 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.487 HG23 ' CE1' ' A' ' 58' ' ' PHE . 34.6 t -107.3 107.43 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.489 0.661 . . . . 1.81 110.473 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.23 174.85 11.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.255 -0.884 . . . . 2.02 109.161 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.425 ' CD2' ' HD2' ' A' ' 15' ' ' PHE . 51.1 m-85 -57.28 -31.09 65.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.392 . . . . 2.17 109.943 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 75' ' ' ILE . 63.8 tt0 -72.93 -39.78 65.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.061 0.458 . . . . 1.66 111.311 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -70.87 -30.86 67.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.67 0.748 . . . . 1.99 109.356 176.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 78' ' ' VAL . 74.7 t80 -72.53 -20.63 61.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 1.92 109.581 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 72' ' ' GLN . 0.5 OUTLIER -66.93 -42.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.525 -0.762 . . . . 0.67 109.114 176.629 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.6 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.4 p -68.79 -27.51 65.95 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.914 -0.584 . . . . 0.74 110.424 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.7 tm? -61.13 -45.64 93.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.619 -0.511 . . . . 1.15 109.619 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 74' ' ' PHE . 15.9 t -66.44 -26.12 36.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 116.154 -0.475 . . . . 0.33 109.756 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -63.8 -44.9 91.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.243 0.544 . . . . 0.43 110.04 173.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -63.94 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.446 -0.797 . . . . 0.4 110.268 175.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.41 -42.74 43.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.249 -0.887 . . . . 0.28 112.804 -172.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' HG ' HG12 ' A' ' 78' ' ' VAL . 96.3 mt -64.39 -34.4 78.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 0.33 109.531 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 3.2 tmtp? -64.58 -44.66 89.96 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.257 -0.883 . . . . 1.67 109.288 174.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.478 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -63.91 -20.57 65.95 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.878 -0.601 . . . . 0.48 111.292 175.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB1' ' HG2' ' B' ' 9' ' ' GLU . . . -80.03 -55.56 4.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.707 0.262 . . . . 0.57 111.707 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -80.21 -46.38 16.39 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.637 0.732 . . . . 2.68 110.763 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.518 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.7 t80 -88.11 25.97 1.48 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.778 -1.101 . . . . 1.8 109.24 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 38.0 t-80 -45.31 6.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.924 1.69 . . . . 3.26 114.795 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.9 t -66.38 -44.97 81.65 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.071 -0.714 . . . . 1.26 109.071 172.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 157.76 87.59 0.0 OUTLIER 'General case' 0 C--N 1.34 0.194 0 C-N-CA 125.083 1.353 . . . . 3.47 108.93 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.469 ' HG3' ' HB3' ' A' ' 83' ' ' LYS . 0.9 OUTLIER -55.45 -34.93 64.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.335 -0.617 . . . . 3.47 109.335 172.337 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.345 -0.843 . . . . 7.09 110.943 175.49 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.928 0.394 . . . . 6.42 110.709 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 93.2 m -76.87 115.92 17.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.514 . . . . 4.26 111.12 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -121.85 6.82 9.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.018 -0.537 . . . . 6.04 109.752 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.518 ' HG ' ' HG3' ' B' ' 5' ' ' GLU . 14.3 tp 58.91 -103.55 0.18 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 114.918 -1.037 . . . . 4.5 111.185 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.518 ' HG3' ' HG ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -128.72 10.7 6.08 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.033 -0.417 . . . . 3.1 111.103 -179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.446 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 23.7 tt0 -65.25 -19.28 65.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.702 -0.681 . . . . 2.51 110.43 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -81.79 -25.9 34.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 2.16 111.127 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.767 HD13 ' HB1' ' A' ' 81' ' ' ALA . 77.3 mt -82.74 -61.32 1.91 Allowed 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.915 -0.314 . . . . 0.34 110.497 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.488 ' HG2' ' HB1' ' A' ' 85' ' ' ALA . 28.6 mt-10 -67.81 -21.8 65.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.492 -0.483 . . . . 2.41 109.942 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.512 ' HA2' ' ND2' ' B' ' 13' ' ' ASN . . . -63.14 -54.21 34.46 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.538 -0.755 . . . . 0.44 112.227 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.77 -37.0 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.156 0.503 . . . . 1.16 110.278 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 85' ' ' ALA . 54.9 t -61.43 -49.61 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 0.57 112.141 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.512 ' ND2' ' HA2' ' B' ' 10' ' ' GLY . 7.8 p30 -73.71 -23.34 59.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.185 -0.606 . . . . 1.42 110.263 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.8 mt -63.71 -47.4 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 2.06 110.212 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.421 ' HD2' ' CD2' ' B' ' 71' ' ' PHE . 29.1 t80 -62.38 -39.81 94.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 2.58 109.931 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -64.51 -26.08 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.822 -0.626 . . . . 2.23 111.143 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -86.63 -43.91 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 2.77 112.001 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.511 ' HB2' HD12 ' B' ' 36' ' ' LEU . 95.6 m-85 -86.97 -23.11 25.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 6.25 110.457 -175.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.558 ' HA ' ' HB3' ' B' ' 32' ' ' GLU . 19.2 m -114.09 85.21 2.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.562 0.696 . . . . 3.02 109.31 175.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.54 -25.79 3.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.183 -0.917 . . . . 4.12 111.164 -172.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -92.21 111.78 23.47 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.595 -0.442 . . . . 7.28 110.805 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' B' ' 26' ' ' ASP . 0.1 OUTLIER -140.23 -176.04 4.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 8.71 110.796 179.083 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.84 -128.87 0.87 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.763 -0.732 . . . . 5.68 112.606 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -80.48 -37.28 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.415 0.626 . . . . 8.27 109.609 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -105.71 170.82 7.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.175 -0.92 . . . . 7.5 108.798 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.441 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 33.0 m-20 -75.86 73.42 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.03 0.443 . . . . 5.62 110.365 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -66.07 -55.36 16.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.454 -0.794 . . . . 3.95 110.587 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 69' ' ' VAL . 58.2 mt 53.38 72.38 0.44 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.754 0.788 . . . . 2.91 110.61 175.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.5 m -80.56 -171.7 3.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.228 -0.896 . . . . 1.35 112.076 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -62.21 -22.9 66.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 1.32 111.796 -173.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.67 -48.83 82.72 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.827 -0.702 . . . . 0.4 112.707 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.558 ' HB3' ' HA ' ' B' ' 19' ' ' SER . 10.6 mm-40 -70.33 -39.43 74.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.46 . . . . 2.43 110.744 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -64.25 -50.21 68.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.663 -0.699 . . . . 0.52 110.056 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' B' ' 54' ' ' ILE . 25.8 tptt -51.2 -43.78 61.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 1.87 110.83 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -59.91 -58.47 8.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.962 -0.563 . . . . 2.45 110.625 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' B' ' 18' ' ' TYR . 9.0 tt -54.38 -45.77 72.9 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.983 0.42 . . . . 0.45 110.67 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.8 mt -63.12 -50.64 69.67 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.605 0.595 . . . . 0.45 112.605 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 10.8 t -67.55 -28.07 67.48 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.16 -0.216 . . . . 1.23 111.512 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -97.18 -30.45 13.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.152 0.797 . . . . 1.62 113.152 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 26.5 mm-40 -97.02 -49.67 4.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.438 0.637 . . . . 1.67 110.927 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 8' ' ' LEU . 7.9 mp -95.86 18.63 12.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.748 -0.66 . . . . 1.42 111.202 -172.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.89 -25.69 21.28 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.353 0.871 . . . . 0.78 113.353 -175.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -109.51 -2.2 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.684 0.278 . . . . 2.16 111.682 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.9 -62.64 1.25 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.336 0.588 . . . . 0.66 110.946 -170.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 45.0 mt -81.79 138.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.516 -0.765 . . . . 0.6 110.169 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.5 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -58.37 123.3 15.67 Favored 'General case' 0 CA--C 1.521 -0.164 0 O-C-N 123.44 0.463 . . . . 1.61 109.915 -177.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.5 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 14.1 m120 46.64 43.75 12.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 123.838 0.711 . . . . 1.48 111.797 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.8 tp -62.69 -4.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.97 0.891 . . . . 0.56 110.785 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -24.35 38.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.304 -0.862 . . . . 1.11 109.486 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.37 127.05 31.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 114.763 -1.108 . . . . 1.59 111.091 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -63.45 -25.46 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 0.92 110.123 176.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.43 -36.54 74.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.412 -0.588 . . . . 0.67 109.412 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.446 ' O ' HG13 ' B' ' 57' ' ' ILE . 22.3 t -72.88 -45.35 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 114.935 -1.029 . . . . 0.6 109.168 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 34' ' ' LYS . 42.7 mt -65.17 -35.14 74.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.621 -1.172 . . . . 0.42 111.394 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 15.3 t70 -62.8 -52.59 62.59 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.747 -0.835 . . . . 1.53 108.747 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -48.42 -46.18 37.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.553 -1.203 . . . . 1.77 111.746 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 74.2 mt -71.83 -51.75 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.203 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.503 ' CE1' HG23 ' B' ' 69' ' ' VAL . 78.9 t80 -53.34 -47.04 69.69 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.902 -0.59 . . . . 1.67 110.356 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 13.3 mm100 -65.63 -27.6 68.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.237 -0.892 . . . . 1.91 110.506 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.16 -27.76 71.34 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.766 -0.652 . . . . 0.53 112.295 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.526 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.4 OUTLIER -90.74 -41.5 11.23 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.825 -0.806 . . . . 0.59 108.825 178.683 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.22 70.82 8.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.982 -1.008 . . . . 1.4 110.37 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.3 -15.8 62.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.22 -0.9 . . . . 1.31 109.509 175.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -73.05 -20.29 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.115 . . . . 2.8 110.287 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 58.2 39.99 25.3 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.036 -0.983 . . . . 2.72 110.242 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.28 4.42 8.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 2.14 110.791 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 65.41 47.77 2.23 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.297 -0.865 . . . . 2.01 110.692 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -140.77 118.14 11.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 2.16 111.162 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.503 HG23 ' CE1' ' B' ' 58' ' ' PHE . 34.8 t -107.18 107.32 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.536 0.684 . . . . 1.81 110.581 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -79.13 174.82 11.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.336 -0.847 . . . . 2.02 109.06 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.421 ' CD2' ' HD2' ' B' ' 15' ' ' PHE . 50.7 m-85 -57.17 -31.01 64.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.874 0.369 . . . . 2.18 110.083 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' B' ' 75' ' ' ILE . 63.9 tt0 -73.07 -39.76 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 1.67 111.281 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.3 mm-40 -70.82 -30.9 67.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.608 0.718 . . . . 1.99 109.325 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.588 ' O ' HG23 ' B' ' 78' ' ' VAL . 74.8 t80 -72.51 -20.47 61.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.668 -0.696 . . . . 1.92 109.64 173.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' B' ' 72' ' ' GLN . 0.5 OUTLIER -67.0 -41.99 88.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.484 -0.78 . . . . 0.67 109.074 176.673 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.59 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.4 p -68.81 -27.46 65.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.94 -0.573 . . . . 0.74 110.483 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.528 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.6 tm? -61.22 -45.67 93.6 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.578 -0.527 . . . . 1.14 109.578 174.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.2 t -66.42 -26.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.133 -0.485 . . . . 0.33 109.692 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -63.66 -44.97 92.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.347 0.594 . . . . 0.43 110.147 173.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.59 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -63.98 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 0.4 110.271 175.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.769 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.48 -42.72 42.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.297 -0.865 . . . . 0.28 112.793 -172.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.468 ' HB2' HG12 ' A' ' 75' ' ' ILE . 96.3 mt -64.35 -34.49 78.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.388 0.613 . . . . 0.33 109.451 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.467 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 3.3 tmtp? -64.43 -44.71 90.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.334 -0.848 . . . . 1.67 109.36 174.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' B' ' 88' ' ' HIS . . . -64.01 -20.4 65.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.825 -0.625 . . . . 0.48 111.28 175.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.497 ' HB1' ' HG2' ' A' ' 9' ' ' GLU . . . -79.98 -55.4 4.99 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.808 0.299 . . . . 0.57 111.808 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -80.52 -46.35 15.97 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.496 0.665 . . . . 2.68 110.718 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.524 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.6 t80 -88.11 26.12 1.45 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.757 -1.111 . . . . 1.8 109.194 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' B' ' 84' ' ' ALA . 37.6 t-80 -45.35 6.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.876 1.67 . . . . 3.27 114.72 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.524 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -65.93 -45.2 82.7 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.985 -0.746 . . . . 1.27 108.985 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 157.86 87.42 0.0 OUTLIER 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.987 1.315 . . . . 3.47 108.933 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.467 ' HG3' ' HB3' ' B' ' 83' ' ' LYS . 0.9 OUTLIER -55.04 -35.42 64.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.37 -0.604 . . . . 3.47 109.37 172.205 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.246 0.9 0 CA-C-N 115.242 -0.89 . . . . 7.08 110.864 175.556 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HG3' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.693 0.283 . . . . 6.42 111.008 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.9 m 61.57 -80.23 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.443 -0.799 . . . . 4.25 113.066 171.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -79.59 -40.43 29.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.673 -0.239 . . . . 6.05 111.598 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt 56.28 -105.03 0.25 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.935 -0.575 . . . . 4.5 111.567 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.556 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 7.9 pt-20 -100.68 16.12 25.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 3.1 111.5 -175.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.74 -34.61 39.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.61 0.719 . . . . 2.51 110.626 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.8 m80 -79.46 -49.13 12.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.617 -0.72 . . . . 2.16 110.34 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.692 HD13 ' HB1' ' B' ' 81' ' ' ALA . 78.0 mt -60.84 -60.44 3.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.101 -0.499 . . . . 0.34 111.002 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -71.38 -23.01 61.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 2.41 110.375 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.22 -38.22 96.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.502 -0.856 . . . . 0.44 111.877 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 7' ' ' HIS . 79.3 mt -72.34 -42.56 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.212 0.529 . . . . 1.16 109.891 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 85' ' ' ALA . 52.7 t -58.79 -37.25 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.238 -0.892 . . . . 0.57 110.756 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.578 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 32.8 t30 -61.9 -46.52 89.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 1.42 110.704 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.9 mm -63.9 -34.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 2.06 110.684 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.461 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 10.2 t80 -57.3 -45.49 84.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.634 0.73 . . . . 2.57 109.413 173.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -68.11 -20.99 64.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.307 -0.86 . . . . 2.23 110.666 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 31.1 mm-40 -84.15 -41.54 16.93 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.717 1.006 . . . . 2.77 113.717 -174.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.604 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 12.4 p90 -66.28 -24.48 66.57 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.7 0.63 . . . . 6.25 112.7 -169.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -118.95 131.34 56.02 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.555 -0.458 . . . . 3.01 110.7 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 22' ' ' LYS . 46.9 t -62.01 123.41 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 4.13 109.588 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.65 -14.2 61.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.286 -0.415 . . . . 7.28 110.959 -174.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.521 ' H ' HG12 ' A' ' 20' ' ' VAL . 75.3 mmtt -78.49 -9.22 59.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 8.7 110.61 175.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.26 72.4 0.34 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.678 -0.772 . . . . 5.67 112.98 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.439 ' HB2' ' H ' ' A' ' 20' ' ' VAL . 24.9 t-80 -79.74 -29.22 40.51 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.189 -0.671 . . . . 8.27 109.189 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.456 ' HD2' ' O ' ' A' ' 27' ' ' THR . 15.3 t80 -160.84 151.63 18.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.94 -1.133 . . . . 7.5 107.94 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.75 -0.0 25.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.031 0.443 . . . . 5.62 111.482 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.456 ' O ' ' HD2' ' A' ' 25' ' ' PHE . 23.4 m -156.23 146.15 21.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.518 -0.549 . . . . 3.94 109.518 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.17 73.42 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.906 -0.776 . . . . 2.91 108.906 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 m -97.27 -171.09 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.602 -0.726 . . . . 1.35 112.134 -173.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -55.39 -36.84 66.82 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 112.744 0.646 . . . . 1.32 112.744 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.91 -46.12 94.08 Favored Glycine 0 CA--C 1.512 -0.15 0 C-N-CA 120.701 -0.761 . . . . 0.4 112.733 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.604 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 7.1 mm-40 -65.28 -41.04 94.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.351 0.596 . . . . 2.44 110.462 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.719 HD11 HD22 ' A' ' 77' ' ' LEU . 19.0 tp -65.04 -49.94 68.16 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.998 . . . . 0.52 109.682 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 77.6 tttt -52.99 -46.46 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.41 -0.814 . . . . 1.87 110.843 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 26.4 tt0 -52.81 -62.08 1.88 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.73 -0.668 . . . . 2.46 110.182 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.417 HD12 ' HD2' ' A' ' 18' ' ' TYR . 8.7 tt -51.91 -49.52 62.88 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.191 0.52 . . . . 0.45 110.881 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.5 mt -60.58 -51.08 70.92 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.912 0.708 . . . . 0.45 112.912 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 25.3 p -67.61 -28.21 67.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.093 0.405 . . . . 1.23 112.093 -174.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.2 ptmm? -97.3 -32.41 11.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.887 0.699 . . . . 1.61 112.887 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' OE2' ' HG3' ' B' ' 1' ' ' MET . 41.3 mm-40 -101.3 -46.8 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.91 0.386 . . . . 1.67 111.397 -172.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 8' ' ' LEU . 18.6 mt -102.49 25.23 9.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.258 0.551 . . . . 1.42 109.71 -176.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.52 ' HA ' HG21 ' A' ' 48' ' ' ILE . . . -53.98 -27.36 30.97 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.741 -1.118 . . . . 0.78 112.803 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.77 -12.73 16.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.98 0.363 . . . . 2.16 111.98 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.556 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.1 m -95.81 -62.89 1.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.515 0.674 . . . . 0.66 110.915 -166.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.518 HG21 HD11 ' A' ' 57' ' ' ILE . 55.7 mt -78.4 135.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.92 -1.037 . . . . 0.6 109.718 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.75 23.3 Favored 'General case' 0 CA--C 1.516 -0.343 0 O-C-N 123.354 0.408 . . . . 1.61 110.287 -176.55 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 81.8 m-20 43.54 44.63 5.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.874 0.734 . . . . 1.48 112.004 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.52 HG21 ' HA ' ' A' ' 42' ' ' ALA . 9.1 tp -60.84 -5.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.973 0.892 . . . . 0.55 110.85 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HA ' HG22 ' A' ' 38' ' ' THR . 11.4 mmmm -85.51 -15.41 42.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.971 -1.013 . . . . 1.11 109.921 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.0 129.72 35.07 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.24 -0.891 . . . . 1.58 110.922 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.6 -27.03 68.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.984 -1.007 . . . . 0.92 110.269 177.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.48 -38.52 74.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.195 -0.669 . . . . 0.67 109.195 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 57' ' ' ILE . 40.3 t -70.59 -44.06 77.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.679 -1.146 . . . . 0.6 109.147 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 39.4 mt -64.47 -37.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 114.716 -1.129 . . . . 0.42 111.394 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 12.6 t70 -63.78 -51.11 66.28 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.798 -0.816 . . . . 1.53 108.798 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -50.11 -44.56 52.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.935 -1.03 . . . . 1.77 111.668 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.586 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 69.5 mt -67.86 -58.02 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.241 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 69' ' ' VAL . 91.3 t80 -52.85 -46.38 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 1.68 110.853 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 16.1 mm100 -68.12 -25.17 65.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.571 -0.74 . . . . 1.92 110.617 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.63 -26.43 63.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.043 -0.598 . . . . 0.53 112.264 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.615 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -91.44 -41.89 10.6 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.458 -0.571 . . . . 0.58 109.458 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.34 74.77 1.01 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.431 -0.804 . . . . 1.4 110.341 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.41 -16.68 61.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.004 -0.998 . . . . 1.3 110.053 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -74.26 -21.18 59.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.446 -0.797 . . . . 2.8 109.999 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 60.4 27.63 17.23 Favored 'General case' 0 CA--C 1.524 -0.046 0 CA-C-N 114.995 -1.002 . . . . 2.72 111.024 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -114.95 9.38 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 2.13 110.301 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 44.1 mt-10 62.0 51.41 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.262 -0.881 . . . . 2.02 110.523 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -139.8 116.74 11.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 2.16 111.325 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' CE1' ' A' ' 58' ' ' PHE . 56.0 t -97.6 115.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 1.81 110.874 175.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -91.64 173.08 8.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.837 -0.801 . . . . 2.02 108.837 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -53.77 -38.46 64.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.427 0.558 . . . . 2.17 110.391 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.641 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 20.7 tt0 -64.21 -43.65 94.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 1.66 111.738 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.615 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.6 mm-40 -71.57 -36.06 70.78 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.493 0.663 . . . . 1.99 109.503 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.506 ' O ' HG23 ' A' ' 78' ' ' VAL . 49.8 t80 -64.56 -26.86 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.468 -0.787 . . . . 1.92 109.556 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.73 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.7 OUTLIER -63.26 -40.57 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.195 -0.911 . . . . 0.67 109.398 175.705 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD13 ' A' ' 80' ' ' ILE . 23.6 m -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.409 -0.814 . . . . 0.74 109.876 174.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.719 HD22 HD11 ' A' ' 33' ' ' LEU . 15.5 tp -57.5 -45.91 84.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.621 0.248 . . . . 1.15 110.697 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 74' ' ' PHE . 10.7 t -63.78 -32.29 56.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.644 -0.502 . . . . 0.33 109.644 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.11 -49.33 78.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.444 0.64 . . . . 0.43 109.683 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -43.63 83.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.124 -0.943 . . . . 0.4 110.422 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.694 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.02 -29.43 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.39 -0.823 . . . . 0.28 112.589 -173.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 84.5 mt -72.38 -39.25 68.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.956 0.407 . . . . 0.33 110.103 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.718 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 27.9 mmmt -64.44 -38.1 89.86 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.033 -0.729 . . . . 1.67 109.033 171.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -64.14 -22.25 66.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.392 -0.367 . . . . 0.48 111.414 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.29 -53.46 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.953 0.353 . . . . 0.57 111.953 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' A' ' 88' ' ' HIS . 43.6 t-80 -85.9 -44.74 12.15 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.275 0.559 . . . . 2.68 110.742 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.547 ' C ' ' H ' ' A' ' 89' ' ' THR . 12.2 t80 -83.39 22.93 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.235 -0.893 . . . . 1.8 109.283 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 1.1 t60 -47.57 17.93 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.777 2.031 . . . . 3.26 114.911 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.9 t -87.25 -44.81 11.17 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 168.78 76.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.239 1.016 . . . . 3.47 109.122 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HE2' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -59.51 -33.41 71.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.997 -0.547 . . . . 3.47 109.979 178.114 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.523 ' O ' ' HE2' ' A' ' 91' ' ' LYS . 42.2 tt0 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 117.923 -1.036 . . . . 7.09 111.786 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.497 ' HG3' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.67 0.271 . . . . 6.42 111.053 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.9 m 61.59 -80.86 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.547 -0.751 . . . . 4.26 112.977 171.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -79.17 -40.15 31.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.595 -0.275 . . . . 6.04 111.602 -172.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 92.9 mt 56.01 -104.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 4.5 111.514 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.556 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 7.9 pt-20 -100.79 16.14 26.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 3.1 111.482 -175.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -51.61 -34.74 38.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 2.51 110.761 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.441 ' O ' HG13 ' B' ' 11' ' ' ILE . 38.7 m80 -79.23 -49.18 12.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.574 -0.739 . . . . 2.16 110.408 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.694 HD13 ' HB1' ' A' ' 81' ' ' ALA . 78.3 mt -61.08 -60.26 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.559 0.537 . . . . 0.34 110.968 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.52 -22.88 61.72 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.904 -0.589 . . . . 2.41 110.457 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.597 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.23 -38.24 96.16 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.674 -0.774 . . . . 0.44 111.739 175.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 7' ' ' HIS . 79.2 mt -72.43 -42.56 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.171 0.51 . . . . 1.16 109.876 177.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 85' ' ' ALA . 52.2 t -58.69 -37.33 65.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 0.57 110.818 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 32.5 t30 -61.74 -46.61 88.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.42 110.662 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -63.97 -34.11 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 2.06 110.609 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.466 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 10.3 t80 -57.43 -45.12 85.02 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.535 0.683 . . . . 2.58 109.461 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.33 -21.09 64.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.322 -0.854 . . . . 2.23 110.686 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 30.9 mm-40 -83.94 -42.09 16.67 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.572 0.953 . . . . 2.77 113.572 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.621 ' CE1' ' HB3' ' B' ' 32' ' ' GLU . 12.4 p90 -65.66 -25.0 67.15 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.716 0.636 . . . . 6.25 112.716 -168.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -118.45 131.59 56.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.463 -0.495 . . . . 3.02 110.588 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.529 HG12 ' H ' ' B' ' 22' ' ' LYS . 46.3 t -62.14 123.48 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 4.12 109.672 173.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' B' ' 21' ' ' ARG . 0.6 OUTLIER -72.54 -14.15 61.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.243 -0.435 . . . . 7.28 111.062 -174.595 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.529 ' H ' HG12 ' B' ' 20' ' ' VAL . 75.2 mmtt -78.53 -9.2 59.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.06 -0.518 . . . . 8.71 110.6 174.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.2 72.29 0.34 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.628 -0.796 . . . . 5.68 112.965 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.449 ' HB2' ' H ' ' B' ' 20' ' ' VAL . 24.9 t-80 -79.71 -28.57 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.462 0.648 . . . . 8.27 109.316 173.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.449 ' HD2' ' O ' ' B' ' 27' ' ' THR . 15.7 t80 -161.51 151.65 17.25 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 107.74 -1.207 . . . . 7.5 107.74 175.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.09 0.06 26.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.854 0.359 . . . . 5.62 111.3 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.449 ' O ' ' HD2' ' B' ' 25' ' ' PHE . 23.7 m -155.92 146.36 21.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.517 -0.549 . . . . 3.95 109.517 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.31 73.48 7.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.927 -0.768 . . . . 2.91 108.927 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.6 m -97.26 -171.09 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.623 -0.717 . . . . 1.35 112.15 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -55.42 -37.01 67.11 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.737 0.643 . . . . 1.32 112.737 -169.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -46.78 92.52 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.687 -0.768 . . . . 0.4 112.695 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.621 ' HB3' ' CE1' ' B' ' 18' ' ' TYR . 7.3 mm-40 -64.89 -41.17 95.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.394 0.616 . . . . 2.43 110.464 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.742 HD11 HD22 ' B' ' 77' ' ' LEU . 19.1 tp -65.0 -49.94 68.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.961 -1.018 . . . . 0.52 109.697 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 77.6 tttt -52.79 -46.66 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 1.87 110.824 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 25.9 tt0 -52.8 -61.9 1.99 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.661 -0.699 . . . . 2.45 110.218 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.403 HD12 ' HD2' ' B' ' 18' ' ' TYR . 8.6 tt -52.1 -49.45 63.57 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.122 0.487 . . . . 0.45 110.861 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.5 mt -60.55 -51.07 71.01 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.888 0.699 . . . . 0.45 112.888 -174.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 25.2 p -67.71 -28.09 67.37 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.96 0.356 . . . . 1.23 111.96 -174.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.2 ptmm? -97.35 -32.42 11.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.967 0.729 . . . . 1.62 112.967 -177.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.476 ' OE2' ' HG3' ' A' ' 1' ' ' MET . 41.4 mm-40 -101.19 -46.81 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.429 . . . . 1.67 111.409 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.504 HD22 HD11 ' A' ' 8' ' ' LEU . 18.6 mt -102.4 25.29 9.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.323 0.582 . . . . 1.42 109.709 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.537 ' HA ' HG21 ' B' ' 48' ' ' ILE . . . -54.24 -27.16 32.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.752 -1.113 . . . . 0.78 112.741 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -103.89 -12.7 16.72 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.91 0.337 . . . . 2.16 111.91 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.556 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.1 m -95.55 -63.11 1.19 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.52 0.676 . . . . 0.66 110.988 -166.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.535 HG21 HD11 ' B' ' 57' ' ' ILE . 56.0 mt -78.48 135.27 26.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.873 -1.058 . . . . 0.6 109.615 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.76 23.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 123.34 0.4 . . . . 1.61 110.35 -176.581 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.458 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 80.2 m-20 43.64 44.77 5.52 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.996 0.81 . . . . 1.48 111.798 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.537 HG21 ' HA ' ' B' ' 42' ' ' ALA . 9.1 tp -60.91 -5.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.994 0.902 . . . . 0.56 110.763 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' B' ' 47' ' ' ASN . 11.4 mmmm -85.72 -15.5 42.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.98 -1.009 . . . . 1.11 109.777 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.02 129.8 35.07 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.306 -0.861 . . . . 1.59 110.848 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.39 -27.22 69.16 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.954 -1.021 . . . . 0.92 110.239 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.59 74.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.166 -0.679 . . . . 0.67 109.166 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.46 ' O ' HG13 ' B' ' 57' ' ' ILE . 40.7 t -70.34 -44.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.74 -1.118 . . . . 0.6 109.169 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 39.8 mt -64.41 -37.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.694 -1.139 . . . . 0.42 111.395 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 11.9 t70 -63.94 -51.02 66.37 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.711 -0.848 . . . . 1.53 108.711 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -50.1 -44.7 52.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.878 -1.055 . . . . 1.77 111.655 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 69.8 mt -67.78 -58.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.17 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' B' ' 69' ' ' VAL . 91.2 t80 -52.67 -46.51 67.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 1.67 110.799 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.6 mm100 -68.14 -24.69 65.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 1.91 110.734 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.59 -25.41 63.06 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.978 -0.629 . . . . 0.53 112.274 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.607 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -92.11 -41.55 10.42 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.518 -0.549 . . . . 0.59 109.518 179.294 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.62 75.27 1.09 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.93 0.871 . . . . 1.4 110.381 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.8 -16.72 61.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.919 -1.037 . . . . 1.31 110.117 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.01 -21.3 60.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.341 -0.845 . . . . 2.8 110.032 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 60.4 27.42 17.01 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 114.965 -1.016 . . . . 2.72 110.985 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -114.78 9.67 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 2.14 110.36 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.401 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 44.9 mt-10 61.95 51.03 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.376 -0.829 . . . . 2.01 110.66 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -139.48 117.21 11.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 2.16 111.146 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.46 HG23 ' CE1' ' B' ' 58' ' ' PHE . 55.4 t -97.88 115.74 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.853 -0.612 . . . . 1.81 110.99 175.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.77 172.95 8.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.774 -0.824 . . . . 2.02 108.774 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -53.56 -38.49 63.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.396 0.543 . . . . 2.18 110.358 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.639 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 20.4 tt0 -64.24 -43.53 94.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.952 -0.567 . . . . 1.67 111.747 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.6 mm-40 -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.499 0.666 . . . . 1.99 109.519 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.506 ' O ' HG23 ' B' ' 78' ' ' VAL . 49.9 t80 -64.69 -26.54 68.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.509 -0.769 . . . . 1.92 109.587 173.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.718 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -63.61 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.155 -0.93 . . . . 0.67 109.259 175.793 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.54 ' O ' HD13 ' B' ' 80' ' ' ILE . 23.3 m -59.83 -39.92 86.74 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.446 -0.797 . . . . 0.74 109.846 174.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.742 HD22 HD11 ' B' ' 33' ' ' LEU . 15.6 tp -57.55 -46.03 84.39 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.714 0.293 . . . . 1.14 110.738 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 74' ' ' PHE . 10.6 t -63.54 -32.43 56.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.655 -0.498 . . . . 0.33 109.655 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.82 -49.74 76.51 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.522 0.677 . . . . 0.43 109.727 174.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.27 -43.78 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.012 -0.995 . . . . 0.4 110.455 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.88 -29.46 58.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.408 -0.814 . . . . 0.28 112.645 -173.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 84.4 mt -72.5 -39.18 67.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.932 0.396 . . . . 0.33 110.155 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.73 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 27.8 mmmt -64.43 -38.07 89.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.999 -0.741 . . . . 1.67 108.999 170.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -64.23 -22.28 66.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.366 -0.379 . . . . 0.48 111.453 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.28 -53.83 6.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.833 0.309 . . . . 0.57 111.833 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' B' ' 88' ' ' HIS . 43.1 t-80 -85.7 -44.4 12.58 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.26 0.552 . . . . 2.68 110.772 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.564 ' C ' ' H ' ' B' ' 89' ' ' THR . 12.1 t80 -83.56 22.78 1.02 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.216 -0.902 . . . . 1.8 109.327 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' B' ' 86' ' ' HIS . 1.1 t60 -47.56 18.08 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.752 2.021 . . . . 3.27 114.917 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.564 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.2 t -87.33 -44.76 11.16 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.228 -0.656 . . . . 1.27 109.228 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 168.76 76.25 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 124.342 1.057 . . . . 3.47 109.152 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.495 ' HE2' ' O ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -59.67 -33.46 71.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.03 -0.532 . . . . 3.47 109.912 178.187 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.495 ' O ' ' HE2' ' B' ' 91' ' ' LYS . 42.5 tt0 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 117.881 -1.057 . . . . 7.08 111.971 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.025 -0.361 . . . . 6.42 110.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.403 HG21 HG12 ' B' ' 14' ' ' ILE . 3.0 m 62.74 -82.97 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.606 0.762 . . . . 4.25 112.375 175.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.83 4.14 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.309 0.576 . . . . 6.05 109.962 -177.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt 57.55 -145.76 0.58 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.398 -0.819 . . . . 4.5 111.356 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -83.62 -3.15 57.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.476 -0.14 . . . . 3.1 110.978 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 11.1 tp10 -53.84 -28.54 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.521 0.513 . . . . 2.51 112.326 -174.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.458 ' HD2' ' H ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -72.63 -42.76 64.07 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.193 -0.603 . . . . 2.16 111.878 178.143 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.554 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 97.6 mt -81.01 -58.1 3.23 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.486 0.66 . . . . 0.34 110.008 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.26 -26.66 65.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.971 -1.013 . . . . 2.41 110.006 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -68.86 -44.65 67.8 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.44 111.684 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.625 HG21 HG21 ' A' ' 78' ' ' VAL . 5.4 mm -54.53 -47.93 70.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.523 0.678 . . . . 1.16 109.941 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.401 HG13 ' ND1' ' B' ' 86' ' ' HIS . 73.7 t -62.11 -40.94 89.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 0.57 111.516 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -73.94 -27.83 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 1.42 111.0 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 10' ' ' GLY . 51.1 mt -74.73 -35.35 36.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 120.818 0.342 . . . . 2.06 110.746 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.629 -0.878 . . . . 2.57 108.629 172.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -67.14 -21.64 65.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.051 -0.977 . . . . 2.23 111.022 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 57.8 tp60 -68.38 -49.66 58.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.507 -0.315 . . . . 2.77 110.777 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 35' ' ' GLN . 63.1 t80 -86.85 -46.04 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.946 -0.702 . . . . 6.25 111.174 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 t -72.89 134.98 45.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 3.01 110.363 -177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -88.2 134.23 28.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.059 -0.519 . . . . 4.13 110.593 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -75.1 84.2 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.297 0.57 . . . . 7.28 110.2 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -83.22 -56.52 3.73 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.144 -0.687 . . . . 8.7 109.144 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.73 -105.47 0.46 Allowed Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.834 -0.621 . . . . 5.67 111.971 176.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -125.46 -70.87 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.744 0.306 . . . . 8.27 110.466 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -129.72 56.32 1.73 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.139 0.495 . . . . 7.5 110.118 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.72 -55.75 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.674 -0.694 . . . . 5.62 110.552 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 m -134.64 -77.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.401 -0.363 . . . . 3.94 110.961 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt 55.2 68.54 0.85 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.472 0.483 . . . . 2.91 110.722 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -101.23 -172.75 2.22 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.496 0.554 . . . . 1.35 112.496 -172.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.06 -29.16 70.11 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.564 -0.289 . . . . 1.32 111.144 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.4 -46.83 86.5 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.263 -0.494 . . . . 0.4 113.075 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 6.3 mm-40 -64.26 -46.07 85.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.334 0.588 . . . . 2.44 110.33 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.671 HD11 ' HG ' ' A' ' 77' ' ' LEU . 33.0 tp -64.55 -42.42 95.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.069 -0.969 . . . . 0.52 110.44 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HA ' HD13 ' A' ' 54' ' ' ILE . 81.1 tttt -55.44 -46.61 76.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.511 . . . . 1.87 110.738 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.6 mp0 -59.68 -57.56 12.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 2.46 110.529 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.46 -46.48 63.08 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 121.187 0.518 . . . . 0.45 110.67 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.547 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 96.0 mt -65.43 -48.73 71.74 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 112.096 0.406 . . . . 0.45 112.096 -176.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -66.93 -30.84 71.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.799 0.333 . . . . 1.23 111.823 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.1 OUTLIER -97.43 -33.11 11.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.919 0.711 . . . . 1.61 112.919 -177.322 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.65 -32.55 11.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.1 -0.24 . . . . 1.67 111.539 -170.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' B' ' 8' ' ' LEU . 18.5 mt -120.2 25.51 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.153 0.502 . . . . 1.42 109.872 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -49.77 -42.41 46.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.822 -1.081 . . . . 0.78 113.317 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -105.82 14.04 28.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.841 0.353 . . . . 2.16 111.423 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.47 -58.4 1.88 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.478 0.656 . . . . 0.66 110.104 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.0 mt -86.15 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.946 -1.024 . . . . 0.6 109.947 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.527 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.72 124.37 18.88 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 110.187 -0.301 . . . . 1.61 110.187 -178.683 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.527 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.0 m120 45.63 43.98 9.81 Favored 'General case' 0 CA--C 1.519 -0.227 0 O-C-N 123.815 0.697 . . . . 1.48 111.945 176.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -64.1 -6.4 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.038 0.923 . . . . 0.55 110.581 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.6 OUTLIER -84.16 -10.84 57.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.936 -1.029 . . . . 1.11 109.932 178.562 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.41 127.98 37.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.171 -0.922 . . . . 1.58 110.685 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -23.82 65.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.562 -0.745 . . . . 0.92 110.457 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -35.31 76.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.124 -0.695 . . . . 0.67 109.124 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.87 -46.46 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.638 -1.165 . . . . 0.6 109.385 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 34' ' ' LYS . 34.8 mt -60.71 -41.04 86.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.871 -1.058 . . . . 0.42 111.44 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.5 t70 -63.64 -51.78 63.65 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.965 -0.562 . . . . 1.53 109.57 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -47.46 -45.48 25.99 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.952 0.782 . . . . 1.77 111.516 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.467 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.1 mt -73.97 -52.83 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.367 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -53.49 -44.54 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 1.68 110.664 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 15.9 mm100 -70.45 -24.65 62.93 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.179 -0.918 . . . . 1.92 110.45 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -25.29 75.57 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.53 111.688 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -91.45 -44.29 9.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.339 -0.615 . . . . 0.58 109.339 177.105 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.82 73.98 0.59 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.205 -0.907 . . . . 1.4 110.29 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -23.37 60.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.102 -0.954 . . . . 1.3 110.519 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.85 -17.72 57.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 2.8 110.512 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 60.9 34.12 19.66 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 114.968 -1.015 . . . . 2.72 111.565 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -98.12 -4.65 35.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.694 0.759 . . . . 2.13 109.385 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 68.48 49.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.184 -1.371 . . . . 2.02 110.27 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -145.89 143.75 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.447 -0.797 . . . . 2.16 109.899 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -106.26 108.3 24.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.575 0.702 . . . . 1.81 111.294 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.7 167.16 9.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.653 -0.703 . . . . 2.02 109.603 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -59.46 -36.51 76.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.163 -0.68 . . . . 2.17 109.163 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.544 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 32.0 tt0 -65.62 -42.31 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.393 -0.821 . . . . 1.66 111.069 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.3 mt-10 -72.92 -29.98 63.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.262 0.553 . . . . 1.99 110.09 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 83.8 t80 -73.06 -21.37 60.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.69 0.757 . . . . 1.92 109.607 172.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.569 HD13 ' HG2' ' B' ' 83' ' ' LYS . 1.6 mt -72.14 -41.84 67.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.154 -0.93 . . . . 0.67 109.895 177.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.621 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.4 p -67.6 -28.84 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.126 -0.488 . . . . 0.74 110.031 172.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.671 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.4 tm? -57.64 -48.67 78.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 1.15 110.394 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.625 HG21 HG21 ' A' ' 11' ' ' ILE . 26.3 t -66.18 -32.41 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.996 -0.547 . . . . 0.33 110.105 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' B' ' 75' ' ' ILE . . . -61.43 -43.33 99.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 0.43 110.082 174.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -59.77 -44.79 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.426 -0.807 . . . . 0.4 110.516 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -71.68 -29.29 64.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.601 -0.727 . . . . 0.28 111.345 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 74.8 mt -67.84 -32.66 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.069 0.462 . . . . 0.33 110.027 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' HG2' HD13 ' B' ' 75' ' ' ILE . 0.1 OUTLIER -66.23 -41.34 90.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.058 -0.519 . . . . 1.67 109.685 173.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -66.86 -21.42 66.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.355 -0.838 . . . . 0.48 111.065 175.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.35 -52.71 6.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.433 -0.349 . . . . 0.57 111.699 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -84.79 -54.33 4.76 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.441 0.639 . . . . 2.68 110.93 -175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 89' ' ' THR . 2.6 t80 -88.09 24.83 1.73 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.157 -0.929 . . . . 1.8 109.312 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.421 ' HB3' ' O ' ' A' ' 84' ' ' ALA . 5.6 p-80 -45.54 19.26 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 116.769 2.137 . . . . 3.26 116.769 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 87' ' ' TYR . 3.9 t -76.01 -44.92 37.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 118.756 0.707 . . . . 1.26 109.296 174.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 168.9 81.53 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 123.546 0.738 . . . . 3.47 110.144 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.514 ' HE2' HG23 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -64.55 -23.43 67.27 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.453 -0.573 . . . . 3.47 109.453 171.137 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.386 -0.825 . . . . 7.09 110.854 177.654 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.161 -0.311 . . . . 6.42 110.161 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m 63.42 -83.4 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.441 0.696 . . . . 4.26 112.232 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.78 4.07 10.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.341 0.591 . . . . 6.04 109.918 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 82.5 mt 57.72 -146.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.47 -0.786 . . . . 4.5 111.317 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.25 -2.79 56.47 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.498 -0.126 . . . . 3.1 111.111 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.476 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 10.8 tp10 -54.21 -28.35 40.41 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.495 0.497 . . . . 2.51 112.264 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.45 ' HD2' ' H ' ' B' ' 8' ' ' LEU . 0.3 OUTLIER -72.72 -42.82 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.278 -0.569 . . . . 2.16 111.786 178.277 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.546 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 97.7 mt -81.01 -58.04 3.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.565 0.697 . . . . 0.34 110.086 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.16 -26.74 65.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.75 -1.114 . . . . 2.41 109.999 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -68.92 -44.47 68.15 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.722 -0.672 . . . . 0.44 111.853 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.622 HG21 HG21 ' B' ' 78' ' ' VAL . 5.5 mm -54.65 -47.76 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.488 0.661 . . . . 1.16 109.967 173.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.27 -41.14 90.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.837 -1.074 . . . . 0.57 111.469 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -73.73 -27.71 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 1.42 111.134 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 51.5 mt -74.88 -35.4 35.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 120.915 0.388 . . . . 2.06 110.768 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -62.97 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.661 -0.866 . . . . 2.58 108.661 172.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -67.26 -21.71 65.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.007 -0.997 . . . . 2.23 111.029 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 56.3 tp60 -68.19 -49.81 58.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.462 -0.336 . . . . 2.77 110.676 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.428 ' CZ ' ' HG2' ' B' ' 35' ' ' GLN . 63.1 t80 -86.89 -45.72 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.812 -0.755 . . . . 6.25 111.201 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.5 t -72.77 135.45 45.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.431 . . . . 3.02 110.326 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -88.69 134.18 28.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.133 -0.485 . . . . 4.12 110.42 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -75.0 84.39 2.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.227 0.537 . . . . 7.28 110.103 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -83.22 -56.45 3.76 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.178 -0.675 . . . . 8.71 109.178 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.99 -105.27 0.44 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.845 -0.616 . . . . 5.68 111.961 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -125.51 -71.21 0.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.667 0.27 . . . . 8.27 110.471 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -129.58 56.52 1.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 7.5 110.091 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.53 -55.35 15.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.58 -0.736 . . . . 5.62 110.685 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.9 m -135.16 -77.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.328 -0.396 . . . . 3.95 110.931 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.6 mt 55.22 68.59 0.84 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.37 0.419 . . . . 2.91 110.7 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -101.2 -172.72 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.485 0.55 . . . . 1.35 112.485 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.99 -29.25 70.13 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.389 0.276 . . . . 1.32 111.037 -176.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.46 -46.82 86.95 Favored Glycine 0 CA--C 1.517 0.179 0 C-N-CA 121.259 -0.496 . . . . 0.4 113.008 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.417 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 6.1 mm-40 -64.21 -46.03 85.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.582 . . . . 2.43 110.294 -178.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.668 HD11 ' HG ' ' B' ' 77' ' ' LEU . 33.0 tp -64.54 -42.56 95.65 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.009 -0.996 . . . . 0.52 110.424 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.442 ' HA ' HD13 ' B' ' 54' ' ' ILE . 81.3 tttt -55.34 -46.54 76.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.014 -0.539 . . . . 1.87 110.833 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.6 mp0 -59.76 -57.46 12.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.43 . . . . 2.45 110.54 175.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.63 -46.6 63.72 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.561 0.538 . . . . 0.45 110.585 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.55 ' CD1' ' HG ' ' B' ' 33' ' ' LEU . 96.0 mt -65.09 -49.11 71.28 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.032 0.382 . . . . 0.45 112.032 -176.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.581 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.1 p -66.59 -30.98 71.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.386 -0.37 . . . . 1.23 111.841 -175.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.1 OUTLIER -97.37 -33.24 11.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.861 0.689 . . . . 1.62 112.861 -177.191 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.44 -32.96 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.578 0.228 . . . . 1.67 111.462 -170.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 8' ' ' LEU . 18.4 mt -119.91 25.49 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 1.42 109.854 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.515 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -49.6 -42.65 45.18 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.803 -1.09 . . . . 0.78 113.221 -175.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -105.56 13.44 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.843 0.354 . . . . 2.16 111.528 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.05 -58.3 1.9 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.717 0.77 . . . . 0.66 110.185 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.0 mt -86.26 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 114.862 -1.063 . . . . 0.6 109.923 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.529 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -57.6 124.5 19.28 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 110.124 -0.325 . . . . 1.61 110.124 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.529 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.4 m120 45.2 44.15 8.53 Favored 'General case' 0 CA--C 1.519 -0.248 0 O-C-N 123.821 0.701 . . . . 1.48 111.963 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.5 tp -63.94 -6.31 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.957 0.884 . . . . 0.56 110.568 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.581 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.6 OUTLIER -84.18 -11.07 57.17 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.012 -0.995 . . . . 1.11 109.909 178.583 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.28 128.08 36.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.17 -0.923 . . . . 1.59 110.535 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -23.93 65.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.598 -0.728 . . . . 0.92 110.447 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.9 75.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.108 -0.701 . . . . 0.67 109.108 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.09 -46.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.701 -1.136 . . . . 0.6 109.4 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' B' ' 34' ' ' LYS . 34.7 mt -60.83 -41.04 87.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.867 -1.061 . . . . 0.42 111.457 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 24.2 t70 -63.64 -51.68 64.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.474 -0.565 . . . . 1.53 109.474 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -47.41 -45.52 25.51 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.575 -0.739 . . . . 1.77 111.607 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 93.3 mt -74.05 -52.78 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.405 -0.362 . . . . 1.0 111.332 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -53.58 -44.35 69.29 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.899 -0.591 . . . . 1.67 110.709 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.8 mm100 -70.58 -24.77 62.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.117 -0.947 . . . . 1.91 110.309 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.21 -25.0 75.81 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.965 -0.636 . . . . 0.53 111.751 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.3 OUTLIER -91.66 -44.33 9.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.329 -0.619 . . . . 0.59 109.329 176.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.412 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 22.1 t70 -70.61 73.97 0.55 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.241 -0.89 . . . . 1.4 110.38 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.74 -23.66 60.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.116 -0.947 . . . . 1.31 110.464 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -77.87 -17.52 57.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.341 -0.845 . . . . 2.8 110.478 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLN . . . . . 0.412 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 74.2 mt-30 60.65 34.38 20.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 114.954 -1.021 . . . . 2.72 111.547 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.17 -4.89 34.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.629 0.728 . . . . 2.14 109.15 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 68.66 49.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.303 -1.317 . . . . 2.01 110.257 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -145.89 144.02 29.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.463 -0.79 . . . . 2.16 109.784 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -106.6 108.2 24.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.607 0.718 . . . . 1.81 111.243 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.76 167.09 9.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.651 -0.704 . . . . 2.02 109.598 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.47 -36.24 75.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.188 -0.671 . . . . 2.18 109.188 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 32.4 tt0 -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.418 -0.81 . . . . 1.67 111.077 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.9 mt-10 -72.96 -29.95 63.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.238 0.542 . . . . 1.99 110.038 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.561 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 84.1 t80 -73.12 -21.31 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.646 0.736 . . . . 1.92 109.623 172.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.556 HD13 ' HG2' ' A' ' 83' ' ' LYS . 1.6 mt -72.13 -41.84 67.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.231 -0.895 . . . . 0.67 109.866 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.616 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.3 p -67.74 -28.82 67.97 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.062 -0.517 . . . . 0.74 110.005 172.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.668 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.4 tm? -57.6 -48.54 79.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 1.14 110.378 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.622 HG21 HG21 ' B' ' 11' ' ' ILE . 26.4 t -66.31 -32.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.052 -0.522 . . . . 0.33 109.988 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 75' ' ' ILE . . . -61.32 -43.33 99.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.28 0.562 . . . . 0.43 110.135 174.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.616 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -59.92 -44.77 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.436 -0.802 . . . . 0.4 110.432 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.554 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -71.63 -29.38 64.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.637 -0.711 . . . . 0.28 111.341 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 74.5 mt -67.89 -32.46 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 0.33 109.989 173.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.569 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -66.45 -41.37 89.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.04 -0.527 . . . . 1.67 109.704 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -66.72 -21.31 66.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.334 -0.848 . . . . 0.48 111.178 175.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.43 -52.72 6.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.33 -0.396 . . . . 0.57 111.787 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.401 ' ND1' HG13 ' A' ' 12' ' ' VAL . 2.1 t-160 -84.85 -54.29 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 2.68 110.879 -175.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.486 ' O ' ' N ' ' B' ' 89' ' ' THR . 2.5 t80 -88.21 24.84 1.76 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.173 -0.921 . . . . 1.8 109.366 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' B' ' 84' ' ' ALA . 5.6 p-80 -45.6 19.54 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.729 2.122 . . . . 3.27 116.729 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.486 ' N ' ' O ' ' B' ' 87' ' ' TYR . 3.9 t -76.1 -44.78 37.09 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.781 0.719 . . . . 1.27 109.376 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 168.74 82.14 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 123.559 0.744 . . . . 3.47 109.959 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.511 ' HE2' HG23 ' B' ' 80' ' ' ILE . 0.6 OUTLIER -65.07 -23.73 67.26 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.316 -0.624 . . . . 3.47 109.316 171.307 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--O 1.247 0.95 0 CA-C-N 115.345 -0.843 . . . . 7.08 110.877 177.646 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 111.807 0.299 . . . . 6.42 111.807 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.428 ' HB ' ' H ' ' A' ' 3' ' ' LYS . 25.2 p -85.45 -152.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.437 -0.164 . . . . 4.25 110.99 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' H ' ' HB ' ' A' ' 2' ' ' THR . 65.4 mttm -88.5 -24.84 22.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.011 0.434 . . . . 6.05 110.409 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp 67.15 21.36 10.09 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.424 -0.807 . . . . 4.5 112.22 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -65.46 -15.59 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.451 0.643 . . . . 3.1 110.298 173.649 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 20.9 tt0 -53.94 -22.79 11.01 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.121 -0.945 . . . . 2.51 111.254 173.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.614 ' O ' HG13 ' A' ' 11' ' ' ILE . 33.0 m-70 -71.03 -47.68 57.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 122.222 -0.299 . . . . 2.16 110.945 -177.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.845 HD13 ' HB1' ' B' ' 81' ' ' ALA . 69.6 mt -73.19 -62.37 1.49 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.602 0.239 . . . . 0.34 111.339 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HG3' ' HB1' ' B' ' 85' ' ' ALA . 2.1 mp0 -63.04 -24.67 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 2.41 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.634 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -70.02 -43.76 63.79 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.753 -0.658 . . . . 0.44 112.433 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 7' ' ' HIS . 77.3 mt -65.03 -38.88 83.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.357 0.598 . . . . 1.16 109.522 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' B' ' 85' ' ' ALA . 86.4 t -61.0 -38.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.181 -0.918 . . . . 0.57 110.24 174.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -68.62 -34.67 76.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.582 -0.735 . . . . 1.42 110.934 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.634 HG13 ' O ' ' A' ' 10' ' ' GLY . 70.1 mt -60.97 -46.5 96.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.432 -0.349 . . . . 2.06 110.299 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 50.9 t80 -64.53 -47.73 77.73 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 2.57 109.852 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.55 -25.35 64.46 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.912 -0.586 . . . . 2.23 110.926 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -70.8 -52.68 19.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.348 -0.387 . . . . 2.77 110.25 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.482 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 96.8 m-85 -84.1 -27.74 28.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 6.25 111.856 -176.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -137.81 118.4 13.94 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.563 -0.532 . . . . 3.01 109.563 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.4 m -89.61 -176.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.974 0.416 . . . . 4.13 111.168 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.23 50.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.619 0.723 . . . . 7.28 109.114 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -73.92 -13.4 60.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.913 -1.04 . . . . 8.7 111.339 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.98 -174.5 31.73 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.923 -0.871 . . . . 5.67 110.923 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -80.77 57.51 3.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.324 0.583 . . . . 8.27 111.056 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -105.26 -65.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.86 -0.793 . . . . 7.5 108.86 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -92.53 166.78 12.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.088 -0.96 . . . . 5.62 109.95 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.1 p -122.87 137.86 54.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.704 0.287 . . . . 3.94 111.08 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt -75.08 80.7 2.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.216 -0.447 . . . . 2.91 110.024 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -103.24 -172.25 2.08 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.185 0.439 . . . . 1.35 112.185 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.85 -34.07 75.99 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.946 0.35 . . . . 1.32 111.946 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.04 -48.73 80.92 Favored Glycine 0 N--CA 1.462 0.382 0 C-N-CA 120.93 -0.652 . . . . 0.4 113.705 -173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.94 -31.47 69.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 2.44 111.071 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD11 HD22 ' A' ' 77' ' ' LEU . 23.2 tp -67.95 -44.31 77.06 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.681 -0.691 . . . . 0.52 109.369 175.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -54.92 -44.86 74.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.296 -0.866 . . . . 1.87 110.995 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.6 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 75.2 mt-30 -54.64 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 2.46 110.23 174.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.97 -46.63 43.83 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.958 0.786 . . . . 0.45 110.818 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.525 HD21 HD21 ' A' ' 77' ' ' LEU . 96.3 mt -65.83 -51.64 57.22 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.608 0.595 . . . . 0.45 112.608 -176.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 49' ' ' LYS . 37.7 p -67.14 -32.15 73.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.808 0.299 . . . . 1.23 111.808 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 11.4 ptmm? -97.69 -33.17 11.4 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.975 0.731 . . . . 1.61 112.975 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 18.2 mm-40 -95.28 -46.83 6.57 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.342 0.591 . . . . 1.67 110.518 -173.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.677 ' HG ' HD11 ' B' ' 8' ' ' LEU . 8.2 mp -98.86 23.19 9.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 1.42 110.469 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -61.15 -13.58 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.425 -0.807 . . . . 0.78 112.629 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.61 -5.75 15.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 2.16 111.683 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -110.57 -60.45 1.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.31 -0.556 . . . . 0.66 111.566 -169.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.572 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 55.4 mt -79.05 142.41 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.569 -0.742 . . . . 0.6 110.094 -175.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -65.12 123.67 20.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.802 -0.444 . . . . 1.61 109.802 -176.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.526 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.8 m120 46.76 43.09 12.66 Favored 'General case' 0 CA--C 1.519 -0.226 0 O-C-N 123.679 0.612 . . . . 1.48 111.646 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.572 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -62.46 -7.94 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 122.066 0.936 . . . . 0.55 110.781 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -83.34 -13.42 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.874 -1.057 . . . . 1.11 110.094 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.3 m-20 -88.54 128.94 35.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.177 -0.92 . . . . 1.58 110.526 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.04 -30.58 71.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.319 -0.855 . . . . 0.92 110.384 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.647 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -67.2 -36.84 82.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.226 -0.657 . . . . 0.67 109.226 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' HD13 ' A' ' 57' ' ' ILE . 23.3 t -72.78 -46.19 54.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.774 -1.103 . . . . 0.6 109.588 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 50' ' ' ASP . 44.7 mt -58.63 -34.99 52.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.577 -0.738 . . . . 0.42 110.955 177.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.89 -47.11 75.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.247 -1.019 . . . . 1.53 108.247 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.647 ' HG3' ' O ' ' A' ' 52' ' ' ALA . 42.0 mt-10 -55.52 -46.12 77.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.661 -1.154 . . . . 1.77 111.683 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.6 mp -67.4 -56.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.744 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.21 -45.44 79.86 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.807 -0.633 . . . . 1.68 110.583 -175.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -67.63 -26.56 66.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.589 -0.732 . . . . 1.92 110.747 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.3 -25.6 75.15 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.693 -0.765 . . . . 0.53 111.855 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.41 -41.75 9.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.611 -0.514 . . . . 0.58 109.611 177.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.32 73.4 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 1.4 110.215 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.15 -17.74 51.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.288 -0.869 . . . . 1.3 109.578 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.83 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -1.059 . . . . 2.8 110.286 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 60.06 40.27 18.76 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 114.61 -1.177 . . . . 2.72 112.554 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -122.02 6.04 9.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.407 0.622 . . . . 2.13 110.129 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 62.86 59.41 1.39 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.934 -1.03 . . . . 2.02 110.12 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -148.97 116.18 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 2.16 110.336 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 73' ' ' GLU . 3.7 p -95.79 105.17 16.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.664 -0.698 . . . . 1.81 110.268 176.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.11 178.6 8.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.172 -0.467 . . . . 2.02 109.783 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' CE2' ' HD2' ' A' ' 15' ' ' PHE . 55.4 m-85 -62.5 -30.3 71.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.958 0.409 . . . . 2.17 110.007 175.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 47.9 tt0 -69.05 -43.91 73.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 1.66 110.986 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -67.47 -38.13 83.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.911 -0.774 . . . . 1.99 108.911 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.502 ' CD1' HD23 ' A' ' 77' ' ' LEU . 84.0 t80 -64.3 -27.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.076 -0.965 . . . . 1.92 110.47 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -64.89 -40.77 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.825 -0.625 . . . . 0.67 109.552 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.518 ' O ' HD13 ' A' ' 80' ' ' ILE . 70.5 m -62.93 -38.17 89.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.466 -0.788 . . . . 0.74 110.069 174.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 33' ' ' LEU . 19.0 tp -57.21 -44.8 84.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.506 -0.316 . . . . 1.15 111.037 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.547 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 22.0 t -66.82 -30.67 50.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.989 -0.374 . . . . 0.33 109.989 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -63.06 -47.34 83.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.15 0.5 . . . . 0.43 109.949 173.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.557 HG23 ' HE2' ' A' ' 91' ' ' LYS . 1.7 mp -58.84 -41.39 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.44 -0.8 . . . . 0.4 110.62 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.883 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.05 -41.23 59.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.451 -0.795 . . . . 0.28 112.019 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.2 mt -61.85 -36.46 81.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.403 0.62 . . . . 0.33 109.346 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.486 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 3.7 tmtp? -64.56 -41.99 95.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.191 -0.913 . . . . 1.67 109.933 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.7 65.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.157 -0.474 . . . . 0.48 111.215 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.72 -59.64 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.271 -0.422 . . . . 0.57 111.384 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -76.21 -47.94 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.6 0.714 . . . . 2.68 110.952 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.59 ' C ' ' H ' ' A' ' 89' ' ' THR . 13.6 t80 -88.68 25.66 1.68 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.61 -1.177 . . . . 1.8 109.688 -177.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.51 ' C ' ' H ' ' A' ' 90' ' ' HIS . 33.3 t60 -47.32 16.82 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.755 1.622 . . . . 3.26 114.787 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.59 ' H ' ' C ' ' A' ' 87' ' ' TYR . 14.7 t -79.74 17.64 0.89 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.932 0.873 . . . . 1.26 108.987 171.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 88' ' ' HIS . 20.1 m170 78.75 77.78 0.06 Allowed 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.061 -1.427 . . . . 3.47 109.797 -176.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.557 ' HE2' HG23 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -51.53 -34.92 38.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.851 -1.068 . . . . 3.47 110.383 173.624 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.526 ' OXT' ' HG2' ' A' ' 46' ' ' LYS . 9.4 tp10 . . . . . 0 C--O 1.245 0.865 0 N-CA-C 108.869 -0.789 . . . . 7.09 108.869 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.628 0.233 . . . . 6.42 111.628 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -85.44 -153.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.467 -0.145 . . . . 4.26 110.895 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.421 ' HB2' ' HG3' ' B' ' 5' ' ' GLU . 65.0 mttm -87.97 -24.6 23.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 6.04 110.501 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp 67.06 21.42 10.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.425 -0.807 . . . . 4.5 112.187 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -65.49 -15.74 62.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.397 0.618 . . . . 3.1 110.217 173.715 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.49 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 20.7 tt0 -53.98 -22.61 10.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.142 -0.936 . . . . 2.51 111.317 173.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.618 ' O ' HG13 ' B' ' 11' ' ' ILE . 32.6 m-70 -71.07 -47.77 56.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.253 -0.28 . . . . 2.16 110.876 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.883 HD13 ' HB1' ' A' ' 81' ' ' ALA . 69.8 mt -73.17 -62.46 1.46 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.541 0.21 . . . . 0.34 111.358 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' B' ' 8' ' ' LEU . 2.2 mp0 -62.96 -24.47 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 2.41 110.338 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.654 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -70.36 -43.45 62.38 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.637 -0.71 . . . . 0.44 112.514 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 7' ' ' HIS . 77.4 mt -65.24 -39.01 84.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 117.392 0.596 . . . . 1.16 109.46 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 85' ' ' ALA . 88.9 t -60.7 -39.06 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.218 -0.901 . . . . 0.57 110.308 174.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.565 -0.743 . . . . 1.42 110.807 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.654 HG13 ' O ' ' B' ' 10' ' ' GLY . 70.2 mt -61.12 -46.23 97.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.507 -0.315 . . . . 2.06 110.317 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.41 ' HB2' ' CZ ' ' B' ' 74' ' ' PHE . 50.8 t80 -64.55 -47.77 77.53 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.838 -0.43 . . . . 2.58 109.838 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -59.69 -25.08 64.47 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 2.23 110.965 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -70.96 -52.49 19.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 2.77 110.275 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.483 ' CE1' ' HD3' ' B' ' 39' ' ' LYS . 96.5 m-85 -84.58 -27.19 27.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.395 -0.366 . . . . 6.25 111.882 -176.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -138.28 117.98 13.12 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.687 -0.486 . . . . 3.02 109.687 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -89.34 -176.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.941 0.401 . . . . 4.12 111.252 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.26 49.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.561 0.696 . . . . 7.28 109.201 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -73.46 -13.05 60.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.89 -1.05 . . . . 8.71 111.247 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.71 -174.02 31.61 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.95 -0.86 . . . . 5.68 110.95 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -80.99 57.71 3.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.341 0.591 . . . . 8.27 111.089 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -105.61 -65.35 1.06 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.978 -0.749 . . . . 7.5 108.978 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -92.94 166.6 12.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.05 -0.977 . . . . 5.62 109.98 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -122.95 137.43 54.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.72 0.295 . . . . 3.95 111.169 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.54 80.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 2.91 110.124 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -103.26 -172.11 2.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.142 0.423 . . . . 1.35 112.142 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.88 -34.29 76.37 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 111.919 0.34 . . . . 1.32 111.919 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.53 -49.4 73.74 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 120.916 -0.659 . . . . 0.4 113.645 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.54 -31.35 69.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.058 0.456 . . . . 2.43 111.149 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.512 HD11 HD22 ' B' ' 77' ' ' LEU . 23.5 tp -68.01 -44.23 77.02 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.74 -0.664 . . . . 0.52 109.364 175.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.79 -45.23 74.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.332 -0.849 . . . . 1.87 110.935 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.592 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 75.4 mt-30 -54.44 -62.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 2.45 110.2 174.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.93 -46.7 43.57 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.569 -0.741 . . . . 0.45 110.905 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.539 HD21 HD21 ' B' ' 77' ' ' LEU . 96.2 mt -65.76 -51.65 57.43 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 112.548 0.573 . . . . 0.45 112.548 -176.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.619 HG22 ' HA ' ' B' ' 49' ' ' LYS . 37.2 p -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 111.849 0.315 . . . . 1.23 111.849 -174.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 11.4 ptmm? -97.67 -33.18 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.981 0.734 . . . . 1.62 112.981 -176.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.485 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 18.4 mm-40 -95.13 -46.99 6.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.67 110.537 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 8' ' ' LEU . 8.1 mp -98.73 23.22 9.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 1.42 110.543 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -61.29 -13.36 18.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.463 -0.789 . . . . 0.78 112.666 -177.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.53 -6.18 14.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.668 0.247 . . . . 2.16 111.668 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -110.51 -60.28 1.83 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.149 0.5 . . . . 0.66 111.708 -169.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 55.3 mt -79.29 142.35 14.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.635 -0.712 . . . . 0.6 110.108 -175.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.52 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -65.11 123.68 20.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.965 -0.383 . . . . 1.61 109.965 -176.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.52 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 10.3 m120 46.63 43.3 12.46 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 123.631 0.582 . . . . 1.48 111.545 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.4 tp -62.61 -7.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.903 0.858 . . . . 0.56 110.691 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.619 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.3 mmmm -83.48 -13.21 55.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.937 -1.029 . . . . 1.11 110.055 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.423 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.2 m-20 -88.57 128.66 35.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.039 -0.982 . . . . 1.59 110.61 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.75 -30.72 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.24 -0.891 . . . . 0.92 110.361 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.652 ' O ' ' HG3' ' B' ' 56' ' ' GLU . . . -67.24 -36.91 82.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.157 -0.682 . . . . 0.67 109.157 177.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.468 ' O ' HD13 ' B' ' 57' ' ' ILE . 23.4 t -72.63 -46.36 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.77 -1.104 . . . . 0.6 109.595 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 50' ' ' ASP . 44.0 mt -58.45 -35.14 52.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.445 -0.798 . . . . 0.42 110.831 177.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.71 -47.37 75.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.216 -1.031 . . . . 1.53 108.216 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.652 ' HG3' ' O ' ' B' ' 52' ' ' ALA . 42.8 mt-10 -55.57 -45.88 77.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.728 -1.124 . . . . 1.77 111.635 177.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.538 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.6 mp -67.35 -56.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.753 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.08 -45.44 79.38 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.734 -0.666 . . . . 1.67 110.572 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -67.76 -26.49 66.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.597 -0.729 . . . . 1.91 110.795 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.58 75.03 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.676 -0.773 . . . . 0.53 111.846 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.35 -42.11 9.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.486 -0.561 . . . . 0.59 109.486 177.78 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.93 73.3 1.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.449 -0.796 . . . . 1.4 110.225 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.88 -18.1 51.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.382 -0.826 . . . . 1.31 109.663 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -74.03 -18.79 60.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.824 -1.08 . . . . 2.8 110.387 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.02 39.89 19.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.749 -1.114 . . . . 2.72 112.569 174.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -121.67 6.1 10.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.319 0.58 . . . . 2.14 110.155 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 62.8 59.36 1.42 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.078 -0.965 . . . . 2.01 110.085 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.94 116.25 6.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.307 -0.86 . . . . 2.16 110.361 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' B' ' 73' ' ' GLU . 3.7 p -95.87 105.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.611 -0.722 . . . . 1.81 110.246 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -80.1 178.68 8.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.053 -0.521 . . . . 2.02 109.769 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.67 -30.25 71.25 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.56 -0.456 . . . . 2.18 110.028 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 48.5 tt0 -68.83 -44.29 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 1.67 110.955 175.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.4 mm-40 -67.16 -38.15 84.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.874 -0.788 . . . . 1.99 108.874 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.489 ' CD1' HD23 ' B' ' 77' ' ' LEU . 84.0 t80 -64.28 -27.33 68.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.04 -0.982 . . . . 1.92 110.434 174.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.553 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -65.18 -40.54 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.878 -0.601 . . . . 0.67 109.498 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.54 ' O ' HD13 ' B' ' 80' ' ' ILE . 66.8 m -63.18 -38.02 89.51 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.59 -0.732 . . . . 0.74 110.066 174.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.539 HD21 HD21 ' B' ' 37' ' ' LEU . 19.4 tp -57.23 -44.8 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.473 -0.33 . . . . 1.14 111.044 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.1 t -66.98 -30.59 50.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.937 -0.394 . . . . 0.33 109.937 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.81 -47.69 82.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.183 0.516 . . . . 0.43 109.956 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.575 HG23 ' HE2' ' B' ' 91' ' ' LYS . 1.7 mp -58.71 -41.32 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 0.4 110.541 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.845 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -74.98 -41.4 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.444 -0.798 . . . . 0.28 112.07 -174.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 89.1 mt -61.78 -36.46 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.408 0.623 . . . . 0.33 109.37 174.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.471 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 3.7 tmtp? -64.54 -42.02 95.99 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.125 -0.943 . . . . 1.67 109.951 174.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.71 65.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.254 -0.43 . . . . 0.48 111.124 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.438 ' HB1' ' HG3' ' A' ' 9' ' ' GLU . . . -80.76 -59.23 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.384 -0.371 . . . . 0.57 111.535 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -76.62 -48.03 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.708 0.766 . . . . 2.68 110.786 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.592 ' C ' ' H ' ' B' ' 89' ' ' THR . 13.5 t80 -88.49 25.73 1.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.632 -1.167 . . . . 1.8 109.644 -177.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' B' ' 90' ' ' HIS . 32.6 t60 -47.58 17.27 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.724 1.61 . . . . 3.27 114.77 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.592 ' H ' ' C ' ' B' ' 87' ' ' TYR . 13.5 t -80.11 17.79 0.95 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.754 0.787 . . . . 1.27 108.968 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' B' ' 88' ' ' HIS . 20.3 m170 78.6 77.94 0.06 Allowed 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 114.206 -1.361 . . . . 3.47 109.662 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.575 ' HE2' HG23 ' B' ' 80' ' ' ILE . 0.5 OUTLIER -51.79 -34.76 41.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.863 -1.062 . . . . 3.47 110.323 173.525 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.509 ' OXT' ' HG2' ' B' ' 46' ' ' LYS . 9.5 tp10 . . . . . 0 C--O 1.245 0.832 0 N-CA-C 109.195 -0.669 . . . . 7.08 109.195 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttp . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.144 -0.317 . . . . 6.42 110.144 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 p -67.18 158.77 30.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.986 -0.552 . . . . 4.25 111.397 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' HA ' ' CE ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.4 16.74 17.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.315 -0.402 . . . . 6.05 111.304 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.0 mt 5.82 95.64 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 125.156 1.535 . . . . 4.5 114.702 171.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 72.17 -27.24 0.18 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.9 1.074 . . . . 3.1 113.9 170.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.34 -34.3 46.64 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.004 0.742 . . . . 2.51 113.004 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -78.28 -35.08 48.45 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.109 -0.37 . . . . 2.16 111.727 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.692 HD13 ' HB1' ' B' ' 81' ' ' ALA . 62.1 mt -83.75 -54.84 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.048 0.452 . . . . 0.34 109.927 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.03 -27.9 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.434 -0.803 . . . . 2.41 110.423 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.71 -52.13 41.11 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.565 -0.743 . . . . 0.44 111.785 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 78' ' ' VAL . 15.0 mm -54.84 -48.18 74.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.045 0.45 . . . . 1.16 110.438 175.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.84 -44.2 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 0.57 111.423 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.61 -40.87 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 1.42 110.555 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 10' ' ' GLY . 22.1 mm -61.28 -44.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 2.06 110.698 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 44.5 t80 -61.28 -46.14 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 2.57 110.088 177.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -63.28 -21.88 66.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 2.23 111.155 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.64 -46.08 12.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.496 -0.32 . . . . 2.77 111.627 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -92.18 6.18 47.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.209 0.448 . . . . 6.25 112.209 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.45 ' HA ' ' OE1' ' A' ' 32' ' ' GLU . 82.9 p -135.35 139.3 44.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.673 -0.492 . . . . 3.01 109.673 173.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.87 144.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.999 0.428 . . . . 4.13 110.953 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.492 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 2.9 mpt_? -88.17 -46.35 9.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 7.28 109.712 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttm 52.57 54.36 10.74 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.488 0.661 . . . . 8.7 111.377 173.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.4 -57.85 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.74 -0.664 . . . . 5.67 113.23 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -135.05 143.65 46.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.956 -0.387 . . . . 8.27 109.956 -176.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -66.35 88.12 0.12 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.348 0.594 . . . . 7.5 111.223 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -128.65 -43.7 1.39 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.129 -0.941 . . . . 5.62 109.165 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -83.17 50.77 1.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.376 -0.829 . . . . 3.94 110.923 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp -132.31 32.01 4.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.795 0.807 . . . . 2.91 109.02 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 p -92.39 -171.04 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.09 -0.959 . . . . 1.35 111.699 -173.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 22.3 ttmt -52.59 -29.85 27.98 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.553 -0.294 . . . . 1.32 111.573 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -47.01 91.63 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.229 -0.51 . . . . 0.4 113.193 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' OE1' ' HA ' ' A' ' 19' ' ' SER . 10.5 mm-40 -63.73 -44.09 94.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.362 0.601 . . . . 2.44 110.044 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 27.2 tp -60.23 -51.66 68.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.868 -1.06 . . . . 0.52 109.617 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 80.8 tttt -53.93 -48.65 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.342 -0.844 . . . . 1.87 111.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.72 -56.98 12.62 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.38 0.425 . . . . 2.46 110.232 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.8 tt -53.56 -50.48 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.185 -0.461 . . . . 0.45 110.546 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 97.0 mt -59.48 -52.05 67.25 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.887 0.699 . . . . 0.45 112.887 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 34' ' ' LYS . 9.6 t -64.14 -30.9 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.504 0.193 . . . . 1.23 111.498 -173.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.4 -30.96 12.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 113.117 0.784 . . . . 1.61 113.117 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 57.1 mm-40 -95.65 -40.43 9.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.109 0.481 . . . . 1.67 111.533 -174.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' B' ' 8' ' ' LEU . 8.0 mp -107.85 18.19 21.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 1.42 110.842 -172.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -50.64 -36.29 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.515 -0.766 . . . . 0.78 112.527 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -109.17 20.24 18.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.721 0.267 . . . . 2.16 111.721 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.414 HG21 ' CD1' ' B' ' 8' ' ' LEU . 17.6 m -116.91 -64.55 1.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.279 0.561 . . . . 0.66 110.964 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.602 ' HA ' ' HB1' ' A' ' 84' ' ' ALA . 41.2 mt -80.75 138.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.782 -0.645 . . . . 0.6 110.456 -176.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.16 121.18 8.85 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.119 -0.491 . . . . 1.61 109.923 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.6 m-20 45.09 44.48 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.53 -0.759 . . . . 1.48 111.844 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -59.8 -6.92 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.842 0.829 . . . . 0.55 111.21 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.76 -9.55 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.357 -0.838 . . . . 1.11 109.949 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' O ' HG13 ' A' ' 54' ' ' ILE . 2.3 m-20 -89.88 128.47 36.2 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.292 -0.867 . . . . 1.58 110.889 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.595 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 23.8 tptm -63.05 -28.49 70.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.12 -0.946 . . . . 0.92 110.23 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -69.21 -34.41 74.82 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.245 -0.65 . . . . 0.67 109.245 177.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 38.3 t -73.61 -48.9 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.857 -1.065 . . . . 0.6 109.321 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.437 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 25.4 mt -59.13 -37.04 65.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.977 -1.011 . . . . 0.42 111.331 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.44 -43.08 82.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.888 -0.597 . . . . 1.53 109.74 178.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 40.0 mm-40 -53.39 -48.85 68.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.191 -0.913 . . . . 1.77 110.735 174.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.612 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.6 mt -68.05 -53.98 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.965 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -51.34 -46.37 62.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.296 -0.865 . . . . 1.68 110.904 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -68.6 -24.82 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 1.92 111.148 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.02 -21.87 75.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.859 -0.686 . . . . 0.53 112.353 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.648 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -96.3 -44.73 7.12 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.759 -0.46 . . . . 0.58 109.759 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 34.6 t70 -70.25 71.18 0.42 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 124.032 0.832 . . . . 1.4 110.3 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 -21.85 41.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.124 -0.944 . . . . 1.3 110.055 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -83.9 -13.99 52.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 2.8 110.604 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 91.6 mt-30 65.13 40.0 5.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.936 -1.029 . . . . 2.72 111.87 173.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.13 -3.19 26.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.992 0.425 . . . . 2.13 110.12 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 62.78 30.49 16.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.329 -0.85 . . . . 2.02 109.719 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.59 118.58 12.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.203 -0.908 . . . . 2.16 109.666 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.74 106.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.893 0.377 . . . . 1.81 110.825 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.64 166.13 23.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 2.02 109.722 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -56.37 -40.11 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 2.17 110.595 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.563 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 37.4 tt0 -75.47 -32.06 60.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.363 0.602 . . . . 1.66 111.074 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.5 mt-10 -71.68 -26.73 62.64 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.422 0.63 . . . . 1.99 109.635 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 65.1 t80 -76.31 -21.49 56.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.464 -0.569 . . . . 1.92 109.464 171.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.563 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -62.86 -44.13 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.71 -0.848 . . . . 0.67 108.71 174.69 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.616 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.36 -30.33 68.31 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.599 -0.728 . . . . 0.74 110.787 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.6 tm? -56.42 -47.58 78.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.428 . . . . 1.15 109.856 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.612 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.4 t -66.48 -31.58 54.23 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 115.944 -0.571 . . . . 0.33 110.222 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' B' ' 75' ' ' ILE . . . -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.516 0.674 . . . . 0.43 109.805 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.72 -43.66 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.879 -1.055 . . . . 0.4 110.241 174.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.695 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.52 -33.64 60.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.961 . . . . 0.28 112.824 -172.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 99.4 mt -67.55 -41.66 83.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.176 0.513 . . . . 0.33 110.291 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.525 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 5.6 mttt -74.99 -23.94 58.35 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.852 -0.739 . . . . 1.67 110.57 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -67.61 -23.61 65.39 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 0.48 110.228 170.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.81 -51.69 7.43 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.57 111.355 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 88' ' ' HIS . 41.2 t-80 -82.35 -55.42 4.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.298 0.571 . . . . 2.68 110.957 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.515 ' C ' ' H ' ' A' ' 89' ' ' THR . 7.3 t80 -78.69 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.958 -1.019 . . . . 1.8 109.918 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.6 p-80 -52.0 18.57 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.223 1.564 . . . . 3.26 115.223 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.515 ' H ' ' C ' ' A' ' 87' ' ' TYR . 4.3 t -77.24 -35.7 55.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.438 -1.319 . . . . 1.26 107.438 175.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 89' ' ' THR . 11.0 p80 158.06 85.71 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.066 -1.879 . . . . 3.47 106.585 174.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.56 ' HZ3' HG23 ' A' ' 80' ' ' ILE . 2.6 ttpt -50.3 -31.46 14.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.747 -0.66 . . . . 3.47 109.874 178.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.996 -1.002 . . . . 7.09 110.291 172.533 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.136 -0.32 . . . . 6.42 110.136 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p -67.27 158.89 30.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 4.26 111.437 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.446 ' HA ' ' HE3' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -114.45 16.84 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.284 -0.416 . . . . 6.04 111.215 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt 5.5 95.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 O-C-N 125.056 1.472 . . . . 4.5 114.728 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 72.4 -27.13 0.18 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.911 1.078 . . . . 3.1 113.911 170.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -52.24 -34.66 46.97 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.051 0.76 . . . . 2.51 113.051 -169.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -77.97 -35.07 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.242 -0.286 . . . . 2.16 111.704 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.695 HD13 ' HB1' ' A' ' 81' ' ' ALA . 61.7 mt -83.74 -54.79 4.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 0.34 109.95 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.19 -27.81 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.365 -0.834 . . . . 2.41 110.376 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.432 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.92 -51.93 41.74 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.67 -0.696 . . . . 0.44 111.77 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.536 HG21 HG21 ' B' ' 78' ' ' VAL . 15.0 mm -55.01 -48.1 76.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.025 0.441 . . . . 1.16 110.493 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.13 -43.86 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.558 -0.746 . . . . 0.57 111.498 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -65.75 -41.03 92.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 1.42 110.556 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.437 HG22 HD11 ' B' ' 36' ' ' LEU . 22.3 mm -61.09 -44.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.626 . . . . 2.06 110.782 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 44.4 t80 -61.43 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 2.58 110.15 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.46 -22.13 66.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.99 -0.55 . . . . 2.23 111.083 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -83.51 -46.19 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.282 -0.417 . . . . 2.77 111.631 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -92.31 6.38 47.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.077 0.399 . . . . 6.25 112.077 -172.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.454 ' HA ' ' OE1' ' B' ' 32' ' ' GLU . 84.2 p -135.6 139.19 43.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.731 -0.47 . . . . 3.02 109.731 173.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 23.5 m -108.77 144.19 17.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.004 0.43 . . . . 4.12 111.081 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.488 ' N ' ' HD2' ' B' ' 21' ' ' ARG . 2.9 mpt_? -87.53 -46.81 9.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.057 -0.519 . . . . 7.28 109.69 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 60.6 tttm 52.7 54.51 10.43 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.477 0.655 . . . . 8.71 111.323 173.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.39 -58.08 5.04 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.68 -0.691 . . . . 5.68 113.116 175.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -134.43 144.36 48.1 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.83 -0.433 . . . . 8.27 109.83 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -66.99 88.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.453 0.644 . . . . 7.5 111.267 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.44 -43.87 1.41 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.148 -0.933 . . . . 5.62 109.119 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.4 p -82.94 50.71 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.254 -0.885 . . . . 3.95 110.835 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.6 tp -132.41 32.02 3.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.873 0.844 . . . . 2.91 108.981 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -92.53 -171.06 2.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 1.35 111.725 -173.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 22.3 ttmt -52.61 -29.76 27.66 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 122.374 0.269 . . . . 1.32 111.695 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.73 -47.07 91.13 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.374 -0.441 . . . . 0.4 113.21 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.454 ' OE1' ' HA ' ' B' ' 19' ' ' SER . 10.8 mm-40 -63.6 -44.25 94.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.332 0.587 . . . . 2.43 110.144 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.644 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.3 tp -60.21 -51.47 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.931 -1.031 . . . . 0.52 109.639 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.445 ' O ' HG22 ' B' ' 38' ' ' THR . 80.9 tttt -54.11 -48.57 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 1.87 111.413 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.74 -56.87 13.61 Favored 'General case' 0 CA--C 1.519 -0.216 0 O-C-N 123.451 0.469 . . . . 2.45 110.267 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.437 HD11 HG22 ' B' ' 14' ' ' ILE . 9.8 tt -53.73 -50.48 65.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.128 -0.487 . . . . 0.45 110.502 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.4 mt -59.73 -51.82 68.15 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.843 0.683 . . . . 0.45 112.843 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.445 HG22 ' O ' ' B' ' 34' ' ' LYS . 9.6 t -64.04 -31.06 72.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.507 0.194 . . . . 1.23 111.514 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -31.19 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.164 0.802 . . . . 1.62 113.164 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 56.7 mm-40 -95.67 -40.29 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.214 0.53 . . . . 1.67 111.619 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 8' ' ' LEU . 7.9 mp -107.58 18.08 21.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.428 -0.806 . . . . 1.42 110.978 -172.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -50.76 -35.78 33.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.439 -0.8 . . . . 0.78 112.573 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -109.52 19.73 18.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.679 -0.237 . . . . 2.16 111.614 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.403 HG21 ' CD1' ' A' ' 8' ' ' LEU . 17.9 m -116.5 -65.11 1.22 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.112 0.482 . . . . 0.66 110.835 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.598 ' HA ' ' HB1' ' B' ' 84' ' ' ALA . 41.4 mt -80.13 139.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.878 -0.601 . . . . 0.6 110.466 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.456 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.36 121.1 8.79 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.095 -0.502 . . . . 1.61 109.876 -177.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.456 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 45.21 44.47 8.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.614 -0.721 . . . . 1.48 111.72 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -59.95 -6.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.859 0.838 . . . . 0.56 111.218 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.0 -9.13 57.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.305 -0.861 . . . . 1.11 110.055 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.419 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.4 m-20 -90.26 128.84 36.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.328 -0.851 . . . . 1.59 110.836 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.591 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 23.7 tptm -63.35 -28.4 69.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.16 -0.927 . . . . 0.92 110.211 176.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -69.27 -34.47 74.81 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.295 -0.631 . . . . 0.67 109.295 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.452 ' O ' HG13 ' B' ' 57' ' ' ILE . 38.1 t -73.47 -48.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.807 -1.088 . . . . 0.6 109.355 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 25.4 mt -58.98 -37.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.939 -1.028 . . . . 0.42 111.286 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.2 OUTLIER -67.59 -43.15 81.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.924 -0.58 . . . . 1.53 109.66 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 40.3 mm-40 -53.28 -48.84 67.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.168 -0.923 . . . . 1.77 110.703 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.1 mt -68.19 -54.05 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.958 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.22 -46.39 62.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.315 -0.857 . . . . 1.67 110.894 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -68.88 -24.12 64.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.725 -0.67 . . . . 1.91 111.244 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.46 -21.92 74.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.53 112.278 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.652 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.4 OUTLIER -96.36 -44.56 7.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.86 -0.422 . . . . 0.59 109.86 178.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 34.3 t70 -70.15 71.15 0.4 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.262 -0.881 . . . . 1.4 110.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.47 -22.37 41.13 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.29 -0.868 . . . . 1.31 110.012 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -83.3 -14.54 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.13 -0.941 . . . . 2.8 110.55 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 92.6 mt-30 65.71 40.17 4.5 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 114.823 -1.08 . . . . 2.72 111.885 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.22 -3.23 26.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 2.14 110.198 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 63.12 29.89 16.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.211 -0.904 . . . . 2.01 109.791 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -139.18 118.52 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.234 -0.894 . . . . 2.16 109.656 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.409 HG21 HD22 ' B' ' 33' ' ' LEU . 21.2 t -70.61 106.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.977 0.418 . . . . 1.81 110.842 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.83 166.14 23.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 2.02 109.678 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -56.35 -40.01 73.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.789 0.328 . . . . 2.18 110.624 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.562 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 37.0 tt0 -75.56 -32.05 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.308 0.575 . . . . 1.67 111.059 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.652 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.6 mt-10 -71.59 -26.81 62.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.436 0.636 . . . . 1.99 109.613 174.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 64.8 t80 -76.35 -21.38 56.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.552 -0.536 . . . . 1.92 109.552 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.562 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -62.66 -44.25 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.724 -0.843 . . . . 0.67 108.724 174.712 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.628 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.8 p -69.49 -30.25 68.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.538 -0.756 . . . . 0.74 110.846 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.6 tm? -56.32 -47.72 78.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.693 -0.484 . . . . 1.14 109.693 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.608 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 26.7 t -66.45 -31.5 53.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-N 115.946 -0.57 . . . . 0.33 110.229 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 75' ' ' ILE . . . -59.89 -49.43 77.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.558 0.694 . . . . 0.43 109.714 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.628 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.77 -43.65 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.968 -1.015 . . . . 0.4 110.198 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.57 -33.73 60.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.081 -0.963 . . . . 0.28 112.763 -172.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 99.4 mt -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.059 0.457 . . . . 0.33 110.299 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.54 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 5.6 mttt -75.1 -23.78 58.01 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.901 -0.719 . . . . 1.67 110.64 175.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.598 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -67.75 -23.63 65.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 0.48 110.123 170.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.75 -51.63 7.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 0.57 111.357 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.478 ' C ' ' H ' ' B' ' 88' ' ' HIS . 41.1 t-80 -82.59 -55.2 4.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.437 0.637 . . . . 2.68 111.029 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.495 ' C ' ' H ' ' B' ' 89' ' ' THR . 7.2 t80 -78.68 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.008 -0.996 . . . . 1.8 109.942 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.6 p-80 -52.1 18.67 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.03 1.493 . . . . 3.27 115.03 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.495 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -77.27 -35.96 54.73 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 107.327 -1.36 . . . . 1.27 107.327 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' B' ' 89' ' ' THR . 11.0 p80 158.45 85.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 113.088 -1.869 . . . . 3.47 106.668 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.578 ' HZ3' HG23 ' B' ' 80' ' ' ILE . 2.7 ttpt -49.87 -31.47 12.13 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.798 -0.637 . . . . 3.47 109.909 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 117.956 -1.021 . . . . 7.08 110.198 172.562 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.637 0.256 . . . . 6.42 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.579 ' HB ' ' OE1' ' B' ' 40' ' ' GLU . 3.6 t -119.66 121.52 39.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.358 0.599 . . . . 4.25 111.154 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -88.97 -51.75 5.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 6.05 109.72 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 49.9 tp 178.62 -82.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.139 -0.937 . . . . 4.5 109.106 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' HG3' ' HG ' ' A' ' 4' ' ' LEU . 43.8 mt-10 -136.49 15.98 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.439 -0.346 . . . . 3.1 110.257 176.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.556 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 2.5 tm-20 -55.79 -35.68 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 2.51 111.442 -172.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.454 ' O ' HG13 ' A' ' 11' ' ' ILE . 15.4 m170 -70.37 -58.2 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.698 -0.401 . . . . 2.16 111.064 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.657 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 82.9 mt -70.47 -60.92 1.98 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.378 0.609 . . . . 0.34 111.37 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -69.93 -23.2 63.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.577 -0.738 . . . . 2.41 109.725 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.604 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.2 -43.37 95.52 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.467 -0.873 . . . . 0.44 111.877 174.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 7' ' ' HIS . 84.0 mt -65.36 -41.29 90.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.178 0.513 . . . . 1.16 110.08 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.18 -42.27 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 0.57 110.357 175.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.81 -37.22 85.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.514 -0.767 . . . . 1.42 111.007 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.6 mm -61.34 -47.66 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.06 110.474 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.1 t80 -68.43 -36.14 78.63 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.67 -0.493 . . . . 2.57 109.67 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.36 -24.38 67.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.487 -0.779 . . . . 2.23 111.114 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -79.1 -59.4 2.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 2.77 110.953 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.406 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 93.9 m-85 -74.85 -30.36 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.407 -0.36 . . . . 6.25 111.177 -175.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.9 m -119.16 74.92 1.01 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.402 0.62 . . . . 3.01 109.855 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -73.81 153.65 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.508 -0.769 . . . . 4.13 110.265 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -75.85 71.21 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.984 0.421 . . . . 7.28 110.881 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.81 -30.58 71.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.723 0.773 . . . . 8.7 109.043 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.96 -167.7 18.48 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.094 -1.202 . . . . 5.67 110.094 177.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -71.47 96.91 1.56 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 117.228 0.514 . . . . 8.27 110.069 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 57.68 50.45 10.8 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.69 -0.686 . . . . 7.5 110.271 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.64 130.46 41.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.273 -0.876 . . . . 5.62 111.658 -176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 m 63.12 -89.66 0.03 OUTLIER 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.468 -0.787 . . . . 3.94 111.829 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 45.4 mt 50.35 43.93 26.66 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 122.814 0.445 . . . . 2.91 110.789 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -103.22 -177.92 3.51 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.475 -0.49 . . . . 1.35 111.774 -173.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.3 ttmp? -61.24 -34.05 74.5 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 111.725 0.268 . . . . 1.32 111.725 -174.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -44.48 94.71 Favored Glycine 0 C--O 1.235 0.209 0 C-N-CA 120.858 -0.687 . . . . 0.4 113.013 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.22 -41.43 73.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.111 0.481 . . . . 2.44 110.448 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.9 tp -62.75 -43.36 98.99 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.531 -0.758 . . . . 0.52 109.904 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.8 tttt -56.99 -49.34 76.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 1.87 110.935 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -55.59 -54.39 44.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.906 -0.588 . . . . 2.46 109.662 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -52.41 -57.28 10.32 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.964 -0.562 . . . . 0.45 110.308 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.6 mt -59.22 -46.6 88.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.74 0.645 . . . . 0.45 112.74 -173.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 49' ' ' LYS . 25.0 p -64.94 -35.25 80.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.887 0.328 . . . . 1.23 111.887 -174.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 9.7 ptmm? -96.9 -30.32 13.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.472 0.545 . . . . 1.61 112.472 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.562 ' OE1' ' HB ' ' B' ' 2' ' ' THR . 67.3 mm-40 -90.91 -44.26 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.882 0.372 . . . . 1.67 111.024 -173.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD22 HD11 ' B' ' 8' ' ' LEU . 19.9 mt -114.79 25.16 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.045 -0.525 . . . . 1.42 110.356 -171.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.83 -40.99 31.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.088 -0.96 . . . . 0.78 113.016 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.3 11.64 37.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.832 0.308 . . . . 2.16 111.832 -172.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.401 HG21 ' CD1' ' B' ' 8' ' ' LEU . 19.1 m -108.86 -63.29 1.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.43 0.634 . . . . 0.66 110.62 -177.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 51.7 mt -80.11 131.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.236 -0.893 . . . . 0.6 109.493 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.75 125.57 21.82 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.571 -0.286 . . . . 1.61 110.425 -176.778 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 18.2 m120 46.22 42.6 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.65 . . . . 1.48 111.696 176.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -64.33 -3.75 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.981 0.896 . . . . 0.55 110.699 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -84.32 -13.94 51.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.074 -0.966 . . . . 1.11 109.833 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.44 128.57 35.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.17 -0.923 . . . . 1.58 110.787 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.81 68.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.718 . . . . 0.92 110.055 179.015 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.86 -37.96 85.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.944 -0.762 . . . . 0.67 108.944 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.471 ' O ' HD13 ' A' ' 57' ' ' ILE . 30.9 t -71.12 -48.99 51.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.684 -1.144 . . . . 0.6 109.457 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.1 mt -58.93 -37.46 67.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.32 -0.855 . . . . 0.42 111.888 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -65.28 -45.08 85.87 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.826 -0.805 . . . . 1.53 108.826 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 39.0 mm-40 -53.95 -49.67 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.84 -1.073 . . . . 1.77 111.282 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -64.41 -52.42 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.682 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 94.1 t80 -57.04 -45.19 83.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.386 -0.824 . . . . 1.68 110.453 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.22 -24.66 66.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.7 -0.682 . . . . 1.92 110.842 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.97 73.06 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.71 -0.757 . . . . 0.53 111.925 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.571 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -95.79 -43.99 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.089 -0.337 . . . . 0.58 110.089 179.234 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 35.9 t70 -72.78 72.61 1.07 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.258 -0.883 . . . . 1.4 110.058 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.71 -31.45 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.224 -0.898 . . . . 1.3 111.349 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -78.09 -9.46 59.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 2.8 110.799 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 52.0 mt-30 63.63 43.5 5.69 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.006 -0.997 . . . . 2.72 111.799 173.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.56 1.8 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.435 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 29.9 mt-10 58.76 40.48 23.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.331 -0.849 . . . . 2.02 110.583 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -135.47 117.22 15.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.416 -0.811 . . . . 2.16 109.675 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 4.4 p -93.1 107.21 18.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.694 0.759 . . . . 1.81 110.404 176.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -73.63 170.74 14.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 2.02 109.973 177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -59.83 -33.43 71.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.236 0.541 . . . . 2.17 109.839 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 27.0 tt0 -65.97 -40.22 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.653 -0.703 . . . . 1.66 111.0 174.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 34.0 mt-10 -78.0 -29.18 49.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.368 0.604 . . . . 1.99 110.072 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 78' ' ' VAL . 80.5 t80 -71.57 -21.05 61.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.805 -0.634 . . . . 1.92 109.349 170.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.666 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.9 OUTLIER -69.66 -42.82 80.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.568 -0.742 . . . . 0.67 109.559 176.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.606 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.3 p -66.3 -30.48 70.91 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.007 -0.542 . . . . 0.74 109.986 172.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.2 tm? -58.39 -45.95 87.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.839 -0.43 . . . . 1.15 109.839 175.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 74' ' ' PHE . 21.2 t -67.49 -26.66 36.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 116.382 -0.372 . . . . 0.33 110.043 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -64.55 -48.29 75.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 0.43 109.894 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.606 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.55 -40.57 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.425 -0.807 . . . . 0.4 110.126 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.655 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.26 -38.4 60.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.548 -0.751 . . . . 0.28 112.268 -174.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 90.4 mt -64.45 -35.96 82.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.147 -0.686 . . . . 0.33 109.147 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -66.21 -39.7 89.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.015 -0.993 . . . . 1.67 110.111 174.768 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.49 66.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.039 -0.528 . . . . 0.48 111.318 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.52 -54.16 5.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.454 -0.339 . . . . 0.57 111.531 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -85.28 -49.4 8.21 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.217 0.532 . . . . 2.68 111.156 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.53 ' C ' ' H ' ' A' ' 89' ' ' THR . 25.4 t80 -85.2 23.6 1.25 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.37 -0.832 . . . . 1.8 109.993 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -46.46 20.42 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.223 1.935 . . . . 3.26 116.223 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 87' ' ' TYR . 10.3 t -83.92 24.07 0.95 Allowed 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.437 0.695 . . . . 1.26 110.551 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 89' ' ' THR . 58.5 m-70 89.23 82.82 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 125.134 1.374 . . . . 3.47 109.19 -173.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.723 ' HE2' ' C ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -72.23 -69.39 0.4 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.457 -1.247 . . . . 3.47 110.766 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--O 1.25 1.08 0 N-CA-C 109.553 -0.536 . . . . 7.09 109.553 -170.29 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.548 0.214 . . . . 6.42 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.562 ' HB ' ' OE1' ' A' ' 40' ' ' GLU . 3.4 t -119.52 121.35 39.21 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.336 0.589 . . . . 4.26 111.068 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -88.89 -52.04 5.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.765 -0.652 . . . . 6.04 109.605 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.424 ' HG ' ' HG3' ' B' ' 5' ' ' GLU . 49.7 tp 179.05 -82.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.209 -0.905 . . . . 4.5 109.07 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.424 ' HG3' ' HG ' ' B' ' 4' ' ' LEU . 43.4 mt-10 -136.38 16.03 3.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.509 -0.314 . . . . 3.1 110.305 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.563 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 2.6 tm-20 -55.73 -35.64 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 2.51 111.437 -172.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.447 ' O ' HG13 ' B' ' 11' ' ' ILE . 15.6 m170 -70.42 -58.01 4.18 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.993 -0.442 . . . . 2.16 111.154 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.655 HD13 ' HB1' ' A' ' 81' ' ' ALA . 82.8 mt -70.68 -60.96 1.95 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.221 0.534 . . . . 0.34 111.31 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -69.72 -23.35 63.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.524 -0.762 . . . . 2.41 109.701 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.617 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.1 -43.47 95.6 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.436 -0.888 . . . . 0.44 111.837 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.8 mt -65.46 -41.33 90.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.097 0.475 . . . . 1.16 109.977 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.14 -42.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.552 -0.749 . . . . 0.57 110.439 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.72 -37.07 85.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.553 -0.749 . . . . 1.42 110.992 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -61.51 -47.81 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.373 -0.376 . . . . 2.06 110.479 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.485 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.2 t80 -68.31 -36.11 78.82 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.142 0.496 . . . . 2.58 109.678 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.39 -24.19 67.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.525 -0.761 . . . . 2.23 111.093 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -79.36 -59.08 2.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 2.77 111.013 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.41 ' CE1' ' HD3' ' B' ' 39' ' ' LYS . 93.8 m-85 -75.11 -30.26 60.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 6.25 111.277 -176.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.1 m -119.23 74.52 0.99 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.46 0.647 . . . . 3.02 109.857 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.18 154.12 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.595 -0.73 . . . . 4.12 110.314 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -76.36 71.11 3.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.771 0.319 . . . . 7.28 111.125 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.76 -30.82 71.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.767 0.794 . . . . 8.71 108.965 173.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.41 -168.01 18.56 Favored Glycine 0 N--CA 1.439 -1.126 0 CA-C-N 114.633 -1.167 . . . . 5.68 110.222 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.12 96.5 1.36 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 117.042 0.421 . . . . 8.27 110.121 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 57.56 50.9 10.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.641 -0.709 . . . . 7.5 110.25 -176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.01 130.68 42.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.291 -0.868 . . . . 5.62 111.582 -176.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 m 63.23 -89.97 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.541 -0.754 . . . . 3.95 111.734 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 45.4 mt 50.6 43.68 27.51 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 122.816 0.446 . . . . 2.91 110.726 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.474 -0.49 . . . . 1.35 111.894 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.541 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.3 ttmp? -60.85 -34.17 74.18 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.658 0.244 . . . . 1.32 111.658 -174.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.98 -44.37 94.57 Favored Glycine 0 C--N 1.328 0.107 0 C-N-CA 120.819 -0.705 . . . . 0.4 113.008 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.6 -41.25 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.139 0.495 . . . . 2.43 110.359 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 26.9 tp -62.64 -43.35 99.03 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 0.52 110.05 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.8 tttt -57.08 -49.2 76.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.797 -0.638 . . . . 1.87 110.976 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -55.63 -54.27 46.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.022 -0.535 . . . . 2.45 109.742 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.54 -57.18 10.77 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 116.001 -0.545 . . . . 0.45 110.389 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.7 mt -59.16 -46.79 87.45 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 112.7 0.63 . . . . 0.45 112.7 -173.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.485 HG22 ' HA ' ' B' ' 49' ' ' LYS . 26.2 p -64.75 -35.6 81.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.781 0.289 . . . . 1.23 111.781 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.41 ' HD3' ' CE1' ' B' ' 18' ' ' TYR . 9.7 ptmm? -96.57 -30.51 13.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 1.62 112.492 -176.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.579 ' OE1' ' HB ' ' A' ' 2' ' ' THR . 67.1 mm-40 -90.8 -44.41 9.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 1.67 110.998 -173.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.563 HD22 HD11 ' A' ' 8' ' ' LEU . 19.3 mt -114.65 25.24 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 1.42 110.359 -171.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.542 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.8 -41.15 31.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.029 -0.987 . . . . 0.78 112.952 -177.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -102.18 11.46 38.23 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.978 0.362 . . . . 2.16 111.978 -172.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.6 m -108.64 -63.35 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.423 0.63 . . . . 0.66 110.479 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -80.26 131.22 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.28 -0.873 . . . . 0.6 109.517 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.465 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -55.39 125.57 21.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 123.313 0.383 . . . . 1.61 110.403 -176.618 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 17.2 m120 46.34 42.53 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.48 111.723 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -64.24 -3.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.91 0.862 . . . . 0.56 110.592 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.3 mmmm -84.28 -14.27 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.224 -0.898 . . . . 1.11 109.781 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.11 128.42 35.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.222 -0.899 . . . . 1.59 110.722 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.18 -26.92 68.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.606 -0.725 . . . . 0.92 110.045 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.76 -37.89 85.51 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.984 -0.747 . . . . 0.67 108.984 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 57' ' ' ILE . 30.4 t -71.39 -48.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.54 -1.209 . . . . 0.6 109.337 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.446 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.2 mt -58.96 -37.53 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.41 -0.814 . . . . 0.42 111.866 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.9 OUTLIER -65.43 -44.99 85.64 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.8 -0.815 . . . . 1.53 108.8 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 33.2 mm-40 -53.73 -49.86 67.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.892 -1.049 . . . . 1.77 111.355 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.36 -52.35 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.742 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.541 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 94.1 t80 -57.16 -45.23 83.82 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.298 -0.864 . . . . 1.67 110.311 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.13 -24.6 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.717 -0.674 . . . . 1.91 110.943 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.4 -26.02 72.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.723 -0.751 . . . . 0.53 111.871 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.556 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.4 OUTLIER -95.73 -44.06 7.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.083 -0.34 . . . . 0.59 110.083 179.386 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.466 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 35.8 t70 -72.96 72.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.366 -0.834 . . . . 1.4 110.084 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.97 62.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.848 . . . . 1.31 111.35 -176.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.78 -9.35 58.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.059 -0.519 . . . . 2.8 110.843 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLN . . . . . 0.466 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 52.0 mt-30 63.38 43.89 5.81 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.116 -0.947 . . . . 2.72 111.812 173.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -107.7 1.48 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 2.14 110.492 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.414 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 29.5 mt-10 59.06 40.25 22.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.356 -0.838 . . . . 2.01 110.502 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -135.28 117.22 15.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.384 -0.825 . . . . 2.16 109.732 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 4.4 p -93.09 107.21 18.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.67 0.748 . . . . 1.81 110.435 176.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.46 170.87 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 2.02 109.833 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -60.09 -33.47 72.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.1 0.476 . . . . 2.18 109.763 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.565 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 26.6 tt0 -65.81 -40.36 91.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.76 -0.654 . . . . 1.67 110.942 174.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 33.9 mt-10 -77.89 -29.24 50.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.343 0.592 . . . . 1.99 110.013 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.529 ' O ' HG23 ' B' ' 78' ' ' VAL . 80.8 t80 -71.42 -21.22 62.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.427 0.632 . . . . 1.92 109.302 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.646 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.9 OUTLIER -69.58 -42.95 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.529 -0.759 . . . . 0.67 109.527 176.799 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.614 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.6 p -66.06 -30.38 70.9 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.966 -0.561 . . . . 0.74 110.035 172.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.556 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.2 tm? -58.69 -45.81 88.65 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.777 -0.453 . . . . 1.14 109.777 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 74' ' ' PHE . 21.3 t -67.52 -26.74 36.34 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.999 -0.371 . . . . 0.33 109.999 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -64.52 -48.2 76.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.154 0.502 . . . . 0.43 109.985 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.614 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.47 -40.61 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.366 -0.834 . . . . 0.4 110.136 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.657 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -75.22 -38.48 60.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.555 -0.748 . . . . 0.28 112.28 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 90.8 mt -64.32 -35.93 82.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.618 0.723 . . . . 0.33 109.116 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.666 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -66.27 -39.77 89.65 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.023 -0.99 . . . . 1.67 110.076 174.822 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.56 66.84 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.142 -0.481 . . . . 0.48 111.242 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.62 -53.96 6.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 0.57 111.589 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -85.3 -49.79 7.88 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.454 0.645 . . . . 2.68 111.12 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.523 ' C ' ' H ' ' B' ' 89' ' ' THR . 25.1 t80 -84.8 23.37 1.19 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.359 -0.837 . . . . 1.8 109.969 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -46.32 20.73 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 116.237 1.94 . . . . 3.27 116.237 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.523 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.2 t -84.32 24.04 1.02 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.348 0.659 . . . . 1.27 110.527 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' B' ' 89' ' ' THR . 58.9 m-70 89.38 82.38 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.845 0 C-N-CA 124.988 1.315 . . . . 3.47 109.38 -173.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.727 ' C ' ' HE2' ' B' ' 91' ' ' LYS . 0.0 OUTLIER -71.94 -69.49 0.39 Allowed 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.525 -1.216 . . . . 3.47 110.75 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--O 1.249 1.055 0 N-CA-C 109.488 -0.56 . . . . 7.08 109.488 -170.102 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.977 -0.379 . . . . 6.42 109.977 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.56 HG23 ' HA ' ' B' ' 40' ' ' GLU . 91.6 m -54.24 135.87 43.7 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.325 -0.25 . . . . 4.25 110.325 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -110.17 -18.12 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.793 0.33 . . . . 6.05 110.689 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.668 ' HA ' ' O ' ' B' ' 40' ' ' GLU . 95.4 mt 65.94 -121.83 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.612 -0.722 . . . . 4.5 111.259 176.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' HG2' ' OG1' ' B' ' 44' ' ' THR . 20.7 mt-10 -84.09 -1.37 54.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.793 -0.185 . . . . 3.1 111.393 -174.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.99 -47.73 44.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.002 0.43 . . . . 2.51 110.638 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -48.25 10.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.487 -0.324 . . . . 2.16 111.636 -175.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.781 HD13 ' HB1' ' B' ' 81' ' ' ALA . 68.8 mt -63.32 -61.01 2.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.247 0.546 . . . . 0.34 111.259 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.9 -27.54 68.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.51 -0.768 . . . . 2.41 109.572 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -45.42 93.4 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.704 -0.76 . . . . 0.44 112.348 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.68 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.983 0.42 . . . . 1.16 110.095 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.94 -43.74 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.609 -0.723 . . . . 0.57 111.005 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.31 -36.53 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.883 -0.599 . . . . 1.42 111.035 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.64 -40.72 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 2.06 110.667 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 17.8 m-85 -63.48 -43.27 97.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.236 0.541 . . . . 2.57 109.927 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.16 -21.65 66.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.36 -0.836 . . . . 2.23 110.896 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -82.1 -41.39 20.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 2.77 111.571 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.28 -10.46 25.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.761 0.282 . . . . 6.25 111.761 -175.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -113.62 139.88 48.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.916 0.388 . . . . 3.01 110.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p -65.98 121.57 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 4.13 111.198 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -78.4 -26.77 46.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.275 -0.42 . . . . 7.28 111.141 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -97.97 40.96 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.393 -0.367 . . . . 8.7 110.746 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.32 -45.77 92.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.971 -0.633 . . . . 5.67 111.928 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 73.11 -44.32 0.59 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.481 0.713 . . . . 8.27 111.862 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -112.09 -89.71 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.814 0.34 . . . . 7.5 110.648 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -146.86 33.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.362 0.601 . . . . 5.62 110.202 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -65.85 -19.49 65.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.597 -0.729 . . . . 3.94 111.099 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.47 67.97 2.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.431 0.634 . . . . 2.91 109.587 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 p -103.03 -171.06 1.88 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.547 -0.751 . . . . 1.35 111.029 -176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.625 ' HB2' ' OE2' ' A' ' 67' ' ' GLU . 13.5 ttmm -53.91 -29.67 42.96 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 111.817 0.303 . . . . 1.32 111.817 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.09 89.38 Favored Glycine 0 C--O 1.235 0.168 0 C-N-CA 121.203 -0.522 . . . . 0.4 113.222 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.93 -44.07 73.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.255 0.55 . . . . 2.44 110.189 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.4 tp -63.55 -50.46 69.42 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.168 -0.924 . . . . 0.52 109.663 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HB2' HG21 ' A' ' 54' ' ' ILE . 41.5 tttp -53.35 -47.65 69.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.319 -0.855 . . . . 1.87 111.618 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 63.9 tt0 -54.73 -59.62 4.46 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.4 -0.364 . . . . 2.46 110.247 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.571 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 10.4 tt -52.17 -51.8 55.88 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.92 -0.582 . . . . 0.45 110.683 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 71.6 mt -58.42 -52.49 65.41 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.04 0.756 . . . . 0.45 113.04 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 49' ' ' LYS . 19.7 p -63.07 -38.73 92.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.418 -0.356 . . . . 1.23 111.816 -172.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.3 ptmt -96.71 -31.29 12.75 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.296 0.85 . . . . 1.61 113.296 -174.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.638 ' O ' ' HA ' ' B' ' 4' ' ' LEU . 11.5 tp10 -98.0 -39.79 8.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.638 0.256 . . . . 1.67 111.425 -168.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.508 HD22 HD11 ' B' ' 8' ' ' LEU . 38.0 mt -111.76 27.99 9.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.281 0.563 . . . . 1.42 109.639 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -55.28 -26.33 39.59 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 114.805 -1.089 . . . . 0.78 113.341 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -111.67 17.71 19.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.536 0.569 . . . . 2.16 112.536 -172.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.473 ' OG1' ' HG2' ' B' ' 5' ' ' GLU . 28.4 m -119.13 -67.49 0.98 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.447 0.641 . . . . 0.66 110.841 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 27.2 mt -73.64 135.08 28.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.987 -1.006 . . . . 0.6 110.442 -174.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 2.3 pptp? -56.13 126.61 26.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 123.248 0.342 . . . . 1.61 110.798 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.45 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 9.5 m120 46.22 40.42 7.45 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 123.847 0.717 . . . . 1.48 111.552 175.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 37' ' ' LEU . 9.6 tp -61.26 -8.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.038 0.923 . . . . 0.55 110.906 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.3 OUTLIER -82.42 -17.41 45.49 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.804 -1.089 . . . . 1.11 110.183 179.253 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.15 128.65 34.74 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.567 -0.742 . . . . 1.58 111.0 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.4 tmtp? -62.28 -30.74 71.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.818 -1.083 . . . . 0.92 109.855 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.32 -40.25 89.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.19 -0.67 . . . . 0.67 109.19 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 57' ' ' ILE . 30.7 t -66.75 -47.06 84.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.633 -1.167 . . . . 0.6 109.332 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.418 HG21 ' HB2' ' A' ' 34' ' ' LYS . 68.2 mt -60.09 -41.98 88.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.783 -1.098 . . . . 0.42 111.749 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 59' ' ' GLN . 6.7 t0 -64.37 -48.28 76.08 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.75 -0.833 . . . . 1.53 108.75 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 30.6 mm-40 -54.5 -41.2 69.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.818 -1.083 . . . . 1.77 111.375 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 53' ' ' VAL . 78.9 mt -70.03 -49.63 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.588 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 30' ' ' LYS . 39.7 t80 -56.5 -43.4 79.67 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.873 -0.603 . . . . 1.68 109.881 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 80.3 mt-30 -63.58 -29.04 70.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.841 -0.618 . . . . 1.92 110.57 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.15 -25.14 75.67 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.84 -0.695 . . . . 0.53 111.571 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.31 7.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.983 -0.747 . . . . 0.58 108.983 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.73 67.07 7.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.913 -1.039 . . . . 1.4 109.649 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.61 -21.11 63.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.198 -0.91 . . . . 1.3 111.132 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -89.35 -3.2 58.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.667 -0.697 . . . . 2.8 111.148 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 58.52 40.39 23.91 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.414 -0.812 . . . . 2.72 112.007 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -98.46 -6.98 29.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.29 0.567 . . . . 2.13 110.142 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.625 ' OE2' ' HB2' ' A' ' 30' ' ' LYS . 21.3 tp10 61.61 46.86 6.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.752 -1.113 . . . . 2.02 110.453 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -147.88 118.92 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 2.16 110.044 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.0 p -101.05 114.88 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.404 0.621 . . . . 1.81 111.828 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.73 170.98 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.547 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -59.64 -29.66 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.754 0.311 . . . . 2.17 111.019 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.617 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.9 tt0 -68.1 -38.22 82.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.499 0.666 . . . . 1.66 110.692 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 28.2 mt-10 -75.9 -32.17 59.52 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.099 -0.501 . . . . 1.99 110.155 177.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.539 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 21.8 m-85 -62.85 -27.7 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.288 0.566 . . . . 1.92 109.709 168.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.617 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -64.92 -41.43 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.529 -0.759 . . . . 0.67 109.503 176.808 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.575 ' O ' HD13 ' A' ' 80' ' ' ILE . 64.3 m -61.56 -35.62 78.3 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.314 -0.857 . . . . 0.74 110.201 174.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.1 tm? -58.08 -45.36 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.093 -0.336 . . . . 1.15 110.093 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.562 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.2 t -63.64 -33.28 60.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 109.593 -0.521 . . . . 0.33 109.593 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.48 -50.44 73.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.957 -0.565 . . . . 0.43 110.128 176.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.21 -44.11 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 0.4 110.235 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.813 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -68.86 -43.93 74.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.93 . . . . 0.28 112.344 -175.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -67.4 -33.0 74.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.164 0.507 . . . . 0.33 110.188 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.477 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 0.4 OUTLIER -64.28 -49.64 71.01 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.35 -0.611 . . . . 1.67 109.35 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.39 -23.48 64.37 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.932 0.345 . . . . 0.48 111.932 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.04 -60.56 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.844 0.313 . . . . 0.57 111.844 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -80.2 -38.73 30.58 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.766 0.793 . . . . 2.68 110.502 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.553 ' C ' ' H ' ' A' ' 89' ' ' THR . 36.8 t80 -89.96 23.4 2.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.711 -1.131 . . . . 1.8 109.408 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -46.98 19.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 115.856 1.799 . . . . 3.26 115.856 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.553 ' H ' ' C ' ' A' ' 87' ' ' TYR . 12.1 t -86.42 15.2 5.64 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.858 -0.793 . . . . 1.26 108.858 174.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 89' ' ' THR . 14.4 m-70 87.33 86.4 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.223 -1.353 . . . . 3.47 109.705 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HG3' ' HB3' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -54.28 -23.77 16.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.795 -1.093 . . . . 3.47 110.515 173.237 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.071 -0.966 . . . . 7.09 110.575 -179.725 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.858 -0.423 . . . . 6.42 109.858 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.566 HG23 ' HA ' ' A' ' 40' ' ' GLU . 93.2 m -54.87 135.6 47.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.663 0.268 . . . . 4.26 110.37 174.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -109.55 -18.59 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.77 0.319 . . . . 6.04 110.743 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.638 ' HA ' ' O ' ' A' ' 40' ' ' GLU . 95.5 mt 66.38 -122.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.641 -0.709 . . . . 4.5 111.164 176.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.473 ' HG2' ' OG1' ' A' ' 44' ' ' THR . 20.3 mt-10 -83.77 -1.27 53.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.752 -0.204 . . . . 3.1 111.355 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -49.09 -47.88 44.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 2.51 110.608 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.64 -48.09 11.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.465 -0.334 . . . . 2.16 111.798 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.813 HD13 ' HB1' ' A' ' 81' ' ' ALA . 68.6 mt -63.34 -60.99 2.65 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.306 0.574 . . . . 0.34 111.325 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.78 -27.97 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.527 -0.761 . . . . 2.41 109.536 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.1 -45.39 93.94 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.772 -0.728 . . . . 0.44 112.274 174.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.89 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.006 0.432 . . . . 1.16 110.053 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.88 -43.78 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.702 -0.681 . . . . 0.57 110.948 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.27 -36.87 84.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 1.42 110.917 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.37 -40.74 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 2.06 110.698 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' B' ' 74' ' ' PHE . 17.9 m-85 -63.51 -43.22 97.84 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.221 0.534 . . . . 2.58 109.877 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -65.28 -21.68 66.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.4 -0.818 . . . . 2.23 110.806 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -82.23 -41.44 20.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 2.77 111.527 -177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.4 -9.64 26.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.943 0.349 . . . . 6.25 111.943 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.3 t -114.1 140.24 48.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.912 0.387 . . . . 3.02 110.218 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p -66.24 121.65 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.69 -0.686 . . . . 4.12 111.163 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -78.26 -27.38 47.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 7.28 110.978 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' B' ' 22' ' ' LYS . 21.3 ptmt -97.97 42.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 8.71 110.54 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.07 -45.77 93.47 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.915 -0.66 . . . . 5.68 111.871 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 72.89 -44.13 0.58 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.472 0.709 . . . . 8.27 111.793 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -112.46 -89.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.822 0.344 . . . . 7.5 110.792 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -146.85 33.31 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.396 0.617 . . . . 5.62 110.178 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.0 m -66.08 -18.83 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.636 -0.711 . . . . 3.95 111.144 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.81 68.02 2.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.411 0.624 . . . . 2.91 109.556 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -103.15 -171.1 1.89 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.496 -0.775 . . . . 1.35 111.063 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.627 ' HB2' ' OE2' ' B' ' 67' ' ' GLU . 13.4 ttmm -53.66 -29.99 41.15 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.882 0.327 . . . . 1.32 111.882 -177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -40.93 88.73 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.2 -0.524 . . . . 0.4 113.197 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.74 -44.25 74.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.18 0.515 . . . . 2.43 110.173 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 32.4 tp -63.49 -50.5 69.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.172 -0.922 . . . . 0.52 109.735 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.407 ' HB2' HG21 ' B' ' 54' ' ' ILE . 41.5 tttp -53.29 -47.9 68.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.306 -0.861 . . . . 1.87 111.592 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 64.1 tt0 -54.61 -59.33 4.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.364 -0.38 . . . . 2.45 110.272 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.578 ' O ' ' HB3' ' B' ' 40' ' ' GLU . 10.4 tt -52.38 -51.7 57.56 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.972 -0.558 . . . . 0.45 110.624 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 72.1 mt -58.57 -52.56 65.14 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.883 0.697 . . . . 0.45 112.883 -174.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.7 p -62.89 -38.75 92.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.401 -0.363 . . . . 1.23 111.97 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.2 ptmt -96.55 -31.74 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.162 0.801 . . . . 1.62 113.162 -174.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.668 ' O ' ' HA ' ' A' ' 4' ' ' LEU . 11.2 tp10 -97.57 -39.86 8.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.628 0.251 . . . . 1.67 111.461 -168.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 8' ' ' LEU . 38.6 mt -111.66 28.11 9.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.297 0.57 . . . . 1.42 109.542 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' B' ' 48' ' ' ILE . . . -54.87 -27.02 39.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.766 -1.106 . . . . 0.78 113.069 -176.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -111.33 17.48 20.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.611 0.597 . . . . 2.16 112.611 -171.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.457 ' OG1' ' HG2' ' A' ' 5' ' ' GLU . 28.5 m -118.97 -67.42 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.493 0.664 . . . . 0.66 110.954 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 27.1 mt -73.62 135.15 28.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.011 -0.995 . . . . 0.6 110.489 -175.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.457 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 2.3 pptp? -56.07 126.87 27.85 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.283 0.365 . . . . 1.61 110.78 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.457 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.5 m120 45.94 40.38 6.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 123.81 0.694 . . . . 1.48 111.672 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.6 tp -61.3 -8.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.932 0.872 . . . . 0.56 110.9 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -17.17 46.82 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.815 -1.084 . . . . 1.11 110.147 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.51 129.07 34.9 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.722 -0.672 . . . . 1.59 110.95 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.571 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.4 tmtp? -62.74 -30.68 71.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 0.92 109.716 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.43 -40.18 89.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.578 0.704 . . . . 0.67 109.313 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.492 ' O ' HG13 ' B' ' 57' ' ' ILE . 31.1 t -66.73 -47.25 83.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.551 -1.204 . . . . 0.6 109.249 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' B' ' 34' ' ' LYS . 69.0 mt -59.92 -42.08 88.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.725 -1.125 . . . . 0.42 111.758 178.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' B' ' 59' ' ' GLN . 7.4 t0 -64.31 -48.33 76.04 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.781 -0.822 . . . . 1.53 108.781 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 34.8 mm-40 -54.55 -40.97 69.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.832 -1.076 . . . . 1.77 111.358 177.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 53' ' ' VAL . 78.3 mt -70.14 -49.59 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.591 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' B' ' 30' ' ' LYS . 39.8 t80 -56.68 -43.23 80.24 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.886 -0.597 . . . . 1.67 109.854 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 80.2 mt-30 -63.79 -28.9 70.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.764 -0.653 . . . . 1.91 110.584 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.34 -25.07 75.8 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.882 -0.675 . . . . 0.53 111.624 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.23 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.019 -0.734 . . . . 0.59 109.019 177.688 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.7 67.07 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.885 -1.052 . . . . 1.4 109.595 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.6 63.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.14 -0.936 . . . . 1.31 111.072 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -88.73 -3.68 58.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 2.8 111.242 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 58.77 40.63 22.84 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.523 -0.762 . . . . 2.72 111.983 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -98.76 -6.67 28.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 2.14 110.288 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.627 ' OE2' ' HB2' ' B' ' 30' ' ' LYS . 21.4 tp10 61.53 46.74 7.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.807 -1.088 . . . . 2.01 110.399 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -148.03 118.7 7.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.431 -0.804 . . . . 2.16 110.147 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 114.81 41.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.486 0.66 . . . . 1.81 111.815 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.77 170.92 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 2.02 109.498 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.405 ' HA ' ' HB2' ' B' ' 74' ' ' PHE . 96.7 m-85 -59.6 -29.88 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.844 0.293 . . . . 2.18 110.926 176.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.605 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.9 tt0 -67.8 -38.24 83.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.413 0.625 . . . . 1.67 110.833 174.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 28.3 mt-10 -75.86 -32.06 59.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.068 -0.515 . . . . 1.99 110.12 177.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.547 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 21.7 m-85 -63.0 -27.85 69.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.589 -0.523 . . . . 1.92 109.589 168.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.605 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -64.69 -41.46 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.585 -0.734 . . . . 0.67 109.46 176.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.578 ' O ' HD13 ' B' ' 80' ' ' ILE . 58.7 m -61.58 -35.57 78.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.356 -0.838 . . . . 0.74 110.235 174.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.574 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.1 tm? -58.19 -45.31 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.073 -0.343 . . . . 1.14 110.073 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.561 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.1 t -63.6 -33.49 61.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.522 -0.547 . . . . 0.33 109.522 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.21 -50.45 73.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 0.43 110.128 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.578 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.34 -44.15 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.795 . . . . 0.4 110.298 175.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.781 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -68.82 -43.89 74.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.146 -0.934 . . . . 0.28 112.358 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 94.9 mt -67.38 -32.99 74.27 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.198 0.523 . . . . 0.33 110.212 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.493 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 0.4 OUTLIER -64.33 -49.63 70.96 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.354 -0.61 . . . . 1.67 109.354 171.672 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.59 64.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.963 0.357 . . . . 0.48 111.963 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.98 -60.29 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.916 0.339 . . . . 0.57 111.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -80.41 -38.66 29.8 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.624 0.726 . . . . 2.68 110.568 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.558 ' C ' ' H ' ' B' ' 89' ' ' THR . 37.3 t80 -90.08 23.43 2.83 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.719 -1.128 . . . . 1.8 109.441 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.2 20.1 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 115.792 1.775 . . . . 3.27 115.792 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.558 ' H ' ' C ' ' B' ' 87' ' ' TYR . 12.1 t -86.77 15.49 5.71 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.934 -0.765 . . . . 1.27 108.934 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' B' ' 89' ' ' THR . 14.4 m-70 87.03 86.86 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 114.256 -1.338 . . . . 3.47 109.572 -176.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.493 ' HG3' ' HB3' ' B' ' 83' ' ' LYS . 0.6 OUTLIER -54.71 -23.6 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.639 -1.164 . . . . 3.47 110.462 173.14 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 117.898 -1.049 . . . . 7.08 110.245 -179.574 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.805 0.336 . . . . 6.42 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.8 m -145.06 97.03 2.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.056 0.455 . . . . 4.25 110.495 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -120.08 9.45 11.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.09 -0.504 . . . . 6.05 110.611 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' B' ' 40' ' ' GLU . 3.0 mm? -74.89 -16.44 60.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.31 0.576 . . . . 4.5 110.057 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.52 1.95 10.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.503 -0.771 . . . . 3.1 110.725 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.05 -28.64 64.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.431 0.634 . . . . 2.51 110.148 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.527 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 93.2 m-70 -74.04 -46.46 43.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 2.16 109.675 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.565 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 88.7 mt -60.14 -59.07 6.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.262 0.553 . . . . 0.34 110.915 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.68 -26.19 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.493 -0.776 . . . . 2.41 110.83 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -69.57 -33.41 71.95 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.089 -0.577 . . . . 0.44 111.773 176.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG21 HG21 ' A' ' 78' ' ' VAL . 30.8 mm -70.44 -37.8 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.549 0.69 . . . . 1.16 109.219 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 83.6 t -64.92 -27.13 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.55 -0.75 . . . . 0.57 110.472 175.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.33 -44.05 72.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.8 -0.636 . . . . 1.42 110.263 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 30.4 pt -72.19 -23.44 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.693 -0.403 . . . . 2.06 110.574 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.673 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 13.6 m-30 -61.24 -46.49 90.18 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.142 -0.688 . . . . 2.57 109.142 169.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.471 ' CE1' HG21 ' A' ' 20' ' ' VAL . 22.9 t60 -67.09 -20.97 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.928 -1.033 . . . . 2.23 110.393 177.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 30.3 tt0 -71.63 -53.07 14.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.05 -0.523 . . . . 2.77 112.003 -177.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.673 ' CE2' ' HA ' ' A' ' 15' ' ' PHE . 15.8 p90 -70.86 -26.42 63.25 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 120.329 -0.549 . . . . 6.25 111.046 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 p -93.5 -179.58 5.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.68 -0.489 . . . . 3.01 109.68 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 16' ' ' HIS . 72.3 t 69.2 122.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 O-C-N 123.35 0.406 . . . . 4.13 110.726 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 67.24 93.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.654 -0.703 . . . . 7.28 109.579 -174.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -54.88 110.68 0.69 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.209 -0.905 . . . . 8.7 111.509 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.12 -39.66 5.07 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.799 -0.715 . . . . 5.67 111.943 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -151.45 55.68 0.86 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.268 0.556 . . . . 8.27 110.013 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 60.68 83.38 0.14 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.23 -0.896 . . . . 7.5 110.441 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.534 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 10.9 p-10 -65.51 105.83 1.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.725 0.774 . . . . 5.62 109.818 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.436 HG23 ' HB2' ' A' ' 29' ' ' SER . 9.0 t -132.89 3.94 3.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.714 -0.676 . . . . 3.94 111.348 -174.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 68.9 mt 62.38 40.54 10.99 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.998 -0.546 . . . . 2.91 110.739 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.436 ' HB2' HG23 ' A' ' 27' ' ' THR . 11.1 t -99.58 -171.5 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.198 -0.455 . . . . 1.35 109.874 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 18.7 ttmt -61.99 -25.82 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.616 0.228 . . . . 1.32 111.616 -173.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.48 99.69 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.736 -0.745 . . . . 0.4 112.532 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.534 ' OE2' ' HA ' ' A' ' 26' ' ' ASP . 6.2 mm-40 -66.05 -43.36 87.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.473 0.654 . . . . 2.44 109.823 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 16.9 tp -60.87 -49.94 75.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.89 -1.05 . . . . 0.52 109.992 176.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HA ' HD13 ' A' ' 54' ' ' ILE . 1.6 tmtp? -56.23 -49.56 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.964 -1.016 . . . . 1.87 110.77 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 56.1 tt0 -52.13 -61.9 1.98 Allowed 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 123.343 0.402 . . . . 2.46 110.017 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.412 HD12 ' HD2' ' A' ' 18' ' ' TYR . 10.5 tt -53.32 -53.65 47.87 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.567 0.542 . . . . 0.45 111.265 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 48' ' ' ILE . 63.2 mt -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.849 0.685 . . . . 0.45 112.849 -173.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 30.7 p -64.78 -34.9 79.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.851 0.315 . . . . 1.23 111.851 -174.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.5 ptmm? -97.34 -34.35 11.09 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.865 0.691 . . . . 1.61 112.865 -175.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE1' ' HG3' ' A' ' 39' ' ' LYS . 7.0 mm-40 -96.17 -36.35 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 1.67 111.03 -170.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 40' ' ' GLU . 8.3 mp -115.09 27.43 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.285 0.564 . . . . 1.42 109.706 -176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -53.01 -34.01 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.725 -1.125 . . . . 0.78 113.795 -173.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -109.72 9.74 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.179 0.514 . . . . 2.16 111.03 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.6 -63.52 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.433 0.635 . . . . 0.66 110.469 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.568 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 54.2 mt -80.66 136.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.246 -0.888 . . . . 0.6 110.16 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.65 124.12 17.26 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.643 -0.253 . . . . 1.61 111.223 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 49' ' ' LYS . 2.6 t-20 42.87 46.87 4.71 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.83 0.824 . . . . 1.48 110.709 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.671 HD11 HD13 ' A' ' 37' ' ' LEU . 5.5 tp -66.04 3.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.976 -1.011 . . . . 0.55 110.148 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 47' ' ' ASN . 13.8 mmmm -97.64 -1.34 43.89 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.742 -0.663 . . . . 1.11 109.64 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 3.0 t70 -101.2 133.6 45.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.329 -0.85 . . . . 1.58 110.484 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.43 -20.39 65.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.618 -0.719 . . . . 0.92 110.322 178.034 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -71.17 -36.3 71.95 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.736 -0.838 . . . . 0.67 108.736 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.8 t -75.78 -45.39 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.816 -1.083 . . . . 0.6 109.275 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 34' ' ' LYS . 59.4 mt -59.53 -38.26 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.786 -1.097 . . . . 0.42 111.011 176.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.26 -49.59 71.28 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.67 -0.695 . . . . 1.53 110.05 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 19.8 mm-40 -49.36 -45.94 46.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.063 -0.971 . . . . 1.77 111.149 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.636 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.7 mt -72.5 -54.42 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.462 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 85.2 t80 -50.96 -50.74 57.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.856 -0.611 . . . . 1.68 111.062 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -69.82 -20.68 63.43 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.274 -0.875 . . . . 1.92 110.688 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.37 -23.91 69.58 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.061 -0.59 . . . . 0.53 112.137 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -92.96 -43.1 9.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.374 -0.973 . . . . 0.58 108.374 177.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.36 73.3 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 1.4 109.987 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.66 -16.75 63.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 1.3 110.63 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -20.29 56.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 2.8 109.711 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 59.96 40.78 18.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.051 -0.977 . . . . 2.72 110.849 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.8 1.21 28.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 2.13 110.054 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 66.67 36.59 4.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.064 -0.971 . . . . 2.02 109.679 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -143.08 117.59 9.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.714 -1.13 . . . . 2.16 110.233 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 18.3 m -110.84 125.39 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.123 0.487 . . . . 1.81 110.452 173.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.43 170.37 16.25 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.178 -0.675 . . . . 2.02 109.178 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.81 -29.51 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.955 0.407 . . . . 2.17 110.4 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 28.3 tt0 -69.32 -41.5 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 1.66 111.484 175.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.06 -33.32 67.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.111 0.481 . . . . 1.99 109.888 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.649 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 1.2 t80 -68.11 -21.29 64.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.719 0.771 . . . . 1.92 109.083 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.643 HD13 ' HG2' ' B' ' 83' ' ' LYS . 0.4 OUTLIER -71.53 -35.22 55.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.194 -0.912 . . . . 0.67 109.477 174.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.644 ' O ' HD13 ' A' ' 80' ' ' ILE . 28.4 m -64.44 -35.71 81.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.49 -0.777 . . . . 0.74 109.33 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.649 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.1 tm? -54.54 -47.0 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.988 0.423 . . . . 1.15 110.1 175.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.5 t -63.94 -33.25 60.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 CA-C-N 115.958 -0.565 . . . . 0.33 109.872 -177.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.8 -45.2 94.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.334 0.587 . . . . 0.43 110.319 175.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.644 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -61.02 -41.3 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.25 -0.886 . . . . 0.4 110.273 175.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -69.83 -34.49 73.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 0.28 111.431 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -68.92 -40.22 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.501 . . . . 0.33 110.115 176.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' B' ' 75' ' ' ILE . 7.8 mmmm -59.25 -49.17 78.87 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 109.06 -0.718 . . . . 1.67 109.06 171.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -62.13 -21.61 65.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.276 -0.42 . . . . 0.48 111.975 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -79.94 -53.53 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.005 0.372 . . . . 0.57 112.005 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.95 -39.17 18.45 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.78 0.8 . . . . 2.68 110.497 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.534 ' C ' ' H ' ' A' ' 89' ' ' THR . 33.6 t80 -89.66 23.44 2.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.48 -1.236 . . . . 1.8 109.02 177.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 18.4 t-80 -48.53 19.89 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.068 1.747 . . . . 3.26 115.083 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.534 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.7 t -75.28 -31.29 60.68 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.599 -0.889 . . . . 1.26 108.599 172.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.575 ' C ' ' H ' ' A' ' 92' ' ' GLU . 3.1 m80 177.14 -56.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.986 0.915 . . . . 3.47 110.14 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.515 ' HE2' HG23 ' A' ' 80' ' ' ILE . 2.1 ttpp 70.15 -29.25 0.18 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.49 1.116 . . . . 3.47 110.127 -167.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.575 ' H ' ' C ' ' A' ' 90' ' ' HIS . 43.7 mt-10 . . . . . 0 C--O 1.242 0.689 0 CA-C-N 115.277 -0.874 . . . . 7.09 110.434 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.765 0.317 . . . . 6.42 110.287 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 78.3 m -145.03 97.05 2.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.23 -0.441 . . . . 4.26 110.427 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -120.23 9.38 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.144 -0.48 . . . . 6.04 110.641 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' GLU . 3.0 mm? -74.87 -16.29 60.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.247 0.546 . . . . 4.5 110.066 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.56 1.73 11.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.558 -0.746 . . . . 3.1 110.774 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -57.95 -28.52 64.4 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.44 0.638 . . . . 2.51 110.255 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.53 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 93.3 m-70 -74.1 -46.6 41.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 2.16 109.611 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.536 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 88.5 mt -60.08 -59.06 6.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.262 0.553 . . . . 0.34 110.893 174.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.86 -26.06 67.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.625 -0.716 . . . . 2.41 110.774 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.527 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -69.51 -33.39 72.18 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.96 -0.638 . . . . 0.44 111.832 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.55 HG21 HG21 ' B' ' 78' ' ' VAL . 30.7 mm -70.38 -37.86 72.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.648 0.737 . . . . 1.16 109.196 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' B' ' 15' ' ' PHE . 82.3 t -64.95 -27.16 41.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.535 -0.757 . . . . 0.57 110.424 175.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.2 -44.28 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 1.42 110.354 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 30.2 pt -72.12 -23.46 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.686 -0.405 . . . . 2.06 110.663 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.682 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 13.5 m-30 -61.07 -46.15 91.85 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.27 -0.641 . . . . 2.58 109.27 169.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.474 ' CE1' HG21 ' B' ' 20' ' ' VAL . 23.2 t60 -67.59 -20.66 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.957 -1.019 . . . . 2.23 110.441 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 30.3 tt0 -71.71 -53.5 13.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 2.77 111.879 -177.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.682 ' CE2' ' HA ' ' B' ' 15' ' ' PHE . 15.8 p90 -70.67 -25.78 63.14 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.267 -0.573 . . . . 6.25 111.18 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 36.2 p -94.15 -179.32 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.676 -0.49 . . . . 3.02 109.676 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' B' ' 16' ' ' HIS . 72.4 t 68.8 122.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 123.347 0.404 . . . . 4.12 110.884 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 67.17 93.44 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.807 -0.633 . . . . 7.28 109.736 -173.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -55.19 110.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.272 -0.876 . . . . 8.71 111.57 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.95 -39.62 5.14 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.874 -0.679 . . . . 5.68 111.932 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -151.29 55.9 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.279 0.562 . . . . 8.27 109.848 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 60.75 82.45 0.16 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.152 -0.931 . . . . 7.5 110.632 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.524 ' HA ' ' OE2' ' B' ' 32' ' ' GLU . 10.9 p-10 -64.96 105.83 1.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.794 0.807 . . . . 5.62 109.883 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.429 HG23 ' HB2' ' B' ' 29' ' ' SER . 8.2 t -132.71 4.21 3.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 3.95 111.383 -174.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 68.4 mt 62.21 40.48 11.56 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.183 0.516 . . . . 2.91 110.887 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.429 ' HB2' HG23 ' B' ' 27' ' ' THR . 11.2 t -99.53 -171.19 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.756 -0.461 . . . . 1.35 109.756 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.498 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 18.8 ttmt -62.35 -25.74 68.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.622 0.231 . . . . 1.32 111.622 -173.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.7 -42.82 99.64 Favored Glycine 0 N--CA 1.455 -0.048 0 C-N-CA 120.934 -0.65 . . . . 0.4 112.597 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.524 ' OE2' ' HA ' ' B' ' 26' ' ' ASP . 6.1 mm-40 -65.47 -43.71 89.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.413 0.625 . . . . 2.43 109.856 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 17.0 tp -60.74 -49.88 75.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.958 -1.019 . . . . 0.52 109.919 176.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.517 ' HA ' HD13 ' B' ' 54' ' ' ILE . 1.6 tmtp? -56.41 -49.34 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.056 -0.974 . . . . 1.87 110.72 -178.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 56.5 tt0 -52.34 -61.81 2.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.355 0.409 . . . . 2.45 110.032 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.408 HD12 ' HD2' ' B' ' 18' ' ' TYR . 10.5 tt -53.39 -53.57 49.24 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.9 -0.591 . . . . 0.45 111.221 -178.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.688 HD13 HD11 ' B' ' 48' ' ' ILE . 63.6 mt -62.04 -47.96 82.39 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.81 0.67 . . . . 0.45 112.81 -173.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 31.1 p -64.66 -34.9 79.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.854 0.316 . . . . 1.23 111.854 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.6 ptmm? -97.31 -34.19 11.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.908 0.707 . . . . 1.62 112.908 -175.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' HG3' ' B' ' 39' ' ' LYS . 6.7 mm-40 -96.2 -36.32 10.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.87 0.367 . . . . 1.67 111.108 -170.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.403 HD12 ' C ' ' B' ' 40' ' ' GLU . 8.1 mp -115.18 27.54 9.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.372 0.606 . . . . 1.42 109.771 -176.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.85 -34.67 55.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.732 -1.122 . . . . 0.78 113.751 -173.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -109.45 9.92 25.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.282 0.563 . . . . 2.16 111.02 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.62 -63.9 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.466 0.651 . . . . 0.66 110.335 -174.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.562 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.4 mt -80.17 136.5 23.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.176 -0.92 . . . . 0.6 110.046 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.89 124.4 18.45 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.545 -0.298 . . . . 1.61 111.168 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' B' ' 49' ' ' LYS . 2.7 t-20 42.48 46.85 4.24 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.842 0.83 . . . . 1.48 110.798 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.688 HD11 HD13 ' B' ' 37' ' ' LEU . 5.5 tp -65.92 3.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.044 -0.98 . . . . 0.56 110.181 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' B' ' 47' ' ' ASN . 13.8 mmmm -97.47 -1.78 43.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.871 -0.604 . . . . 1.11 109.697 -177.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.432 ' HB2' ' OD1' ' B' ' 47' ' ' ASN . 2.8 t70 -100.69 133.34 45.28 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.209 -0.905 . . . . 1.59 110.612 178.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.498 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.4 -20.44 65.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.92 110.191 178.013 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.82 -36.68 73.06 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.826 -0.805 . . . . 0.67 108.826 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 37.2 t -75.71 -45.31 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.632 -1.167 . . . . 0.6 109.299 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' B' ' 34' ' ' LYS . 59.6 mt -59.53 -38.23 74.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.87 -1.059 . . . . 0.42 110.95 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.36 -49.44 71.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 115.643 -0.708 . . . . 1.53 110.004 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 19.6 mm-40 -49.24 -46.09 45.56 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.048 -0.978 . . . . 1.77 111.375 177.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.9 mt -72.54 -54.41 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.927 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' B' ' 33' ' ' LEU . 85.4 t80 -50.93 -50.61 57.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 1.67 111.181 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -69.91 -20.63 63.36 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.286 -0.87 . . . . 1.91 110.565 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.14 -24.7 68.16 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.989 -0.624 . . . . 0.53 112.149 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.5 OUTLIER -92.45 -43.25 9.3 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.366 -0.976 . . . . 0.59 108.366 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -80.32 73.48 7.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.755 -1.111 . . . . 1.4 110.005 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -16.5 63.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.368 -0.833 . . . . 1.31 110.654 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -20.23 56.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.439 0.637 . . . . 2.8 109.652 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 59.84 41.28 18.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 114.822 -1.081 . . . . 2.72 110.699 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.94 1.05 28.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 2.14 110.063 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 66.61 37.09 4.55 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.15 -0.932 . . . . 2.01 109.75 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -143.5 117.75 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.731 -1.122 . . . . 2.16 110.113 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.45 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 18.2 m -111.27 124.95 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.177 0.513 . . . . 1.81 110.529 173.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.96 170.27 16.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 2.02 109.243 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.82 -29.6 62.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.939 0.4 . . . . 2.18 110.346 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.551 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 28.2 tt0 -69.28 -41.52 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 1.67 111.504 175.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.07 -33.17 67.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.124 0.487 . . . . 1.99 109.891 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.649 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 1.2 t80 -68.2 -21.47 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.718 0.77 . . . . 1.92 109.027 173.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -71.46 -35.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.196 -0.911 . . . . 0.67 109.541 174.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.645 ' O ' HD13 ' B' ' 80' ' ' ILE . 27.4 m -64.31 -35.74 81.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.74 109.479 172.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.649 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.1 tm? -54.57 -47.08 73.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.303 -0.408 . . . . 1.14 110.009 175.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.2 t -63.74 -33.43 61.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 116.01 -0.541 . . . . 0.33 109.958 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.74 -45.2 94.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.323 0.582 . . . . 0.43 110.3 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.645 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.99 -41.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.253 -0.885 . . . . 0.4 110.289 175.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -69.83 -34.42 73.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.57 -0.741 . . . . 0.28 111.46 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.3 mt -68.94 -40.17 79.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.087 -0.506 . . . . 0.33 110.079 176.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.643 ' HG2' HD13 ' A' ' 75' ' ' ILE . 7.6 mmmm -59.32 -49.09 79.15 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.967 -0.753 . . . . 1.67 108.967 171.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -62.22 -21.63 65.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.178 -0.465 . . . . 0.48 111.958 178.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.01 -53.6 6.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.942 0.349 . . . . 0.57 111.942 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.74 -39.19 18.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.768 0.794 . . . . 2.68 110.547 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.534 ' C ' ' H ' ' B' ' 89' ' ' THR . 34.5 t80 -89.65 23.18 2.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.539 -1.21 . . . . 1.8 108.967 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 18.1 t-80 -48.32 20.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.19 1.796 . . . . 3.27 115.164 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.534 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.1 t -75.49 -31.93 60.38 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.384 -0.969 . . . . 1.27 108.384 172.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.568 ' C ' ' H ' ' B' ' 92' ' ' GLU . 3.1 m80 177.78 -56.32 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.13 -0.941 . . . . 3.47 110.111 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.501 ' HE2' HG23 ' B' ' 80' ' ' ILE . 2.1 ttpp 70.29 -29.4 0.18 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.766 -1.106 . . . . 3.47 110.029 -167.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.568 ' H ' ' C ' ' B' ' 90' ' ' HIS . 43.8 mt-10 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.428 -0.805 . . . . 7.08 110.36 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.096 -0.335 . . . . 6.42 110.096 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -68.85 140.64 55.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.069 0.461 . . . . 4.25 110.578 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -91.39 -4.44 55.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.135 -0.484 . . . . 6.05 110.44 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.9 mt 67.99 18.94 9.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.617 -0.719 . . . . 4.5 110.724 -177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.1 -14.63 63.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.583 -0.735 . . . . 3.1 110.175 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.68 -18.86 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.339 -0.846 . . . . 2.51 110.672 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.602 ' O ' HG13 ' A' ' 11' ' ' ILE . 31.7 m80 -71.34 -49.49 41.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.496 -0.32 . . . . 2.16 110.72 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.869 HD13 ' HB1' ' B' ' 81' ' ' ALA . 75.0 mt -63.31 -60.74 3.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.34 111.334 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.94 -22.44 66.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.767 -0.651 . . . . 2.41 109.926 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.669 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -72.85 -35.94 58.02 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.316 -0.856 . . . . 0.44 112.636 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 7' ' ' HIS . 56.8 mt -74.42 -39.48 48.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.229 -0.656 . . . . 1.16 109.229 178.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' B' ' 85' ' ' ALA . 69.0 t -55.32 -39.43 52.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.153 -0.93 . . . . 0.57 110.007 169.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.25 -32.71 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.06 -0.973 . . . . 1.42 111.007 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.669 HG13 ' O ' ' A' ' 10' ' ' GLY . 73.5 mt -64.74 -42.55 95.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.925 0.393 . . . . 2.06 110.594 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.88 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.726 -0.472 . . . . 2.57 109.726 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -72.97 -24.71 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 2.23 110.96 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -67.23 -50.1 61.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 2.77 111.56 -174.158 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -85.12 -48.31 9.3 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.755 -0.778 . . . . 6.25 112.279 -176.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p -67.3 -67.68 0.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.704 -0.398 . . . . 3.01 111.828 -170.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t 71.75 -50.9 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.259 0.624 . . . . 4.13 111.898 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -79.04 62.86 3.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.081 -0.509 . . . . 7.28 111.856 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -89.55 84.32 6.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.049 0.452 . . . . 8.7 110.304 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.85 -110.89 0.57 Allowed Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.745 -0.662 . . . . 5.67 112.684 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -93.85 33.76 1.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.885 0.374 . . . . 8.27 110.873 -176.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 56.55 44.89 23.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.413 -0.812 . . . . 7.5 112.238 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -127.71 -10.87 5.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.723 0.773 . . . . 5.62 109.923 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.5 p -87.05 -22.28 25.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.366 -0.834 . . . . 3.94 112.054 -176.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.1 pt? -81.53 66.16 6.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.28 1.038 . . . . 2.91 111.02 -175.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -100.06 -170.51 1.89 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.775 -1.102 . . . . 1.35 110.389 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 22.5 ttmt -60.31 -23.76 64.45 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 122.443 -0.161 . . . . 1.32 111.429 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.43 -57.58 16.66 Favored Glycine 0 C--O 1.235 0.178 0 C-N-CA 121.412 -0.423 . . . . 0.4 114.103 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.62 -38.15 77.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.589 0.218 . . . . 2.44 111.589 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 23.1 tp -57.56 -51.48 69.29 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.193 -0.669 . . . . 0.52 109.193 175.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 54' ' ' ILE . 26.5 ttpp -49.59 -51.35 37.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.59 -1.187 . . . . 1.87 111.255 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.752 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 6.3 mm100 -61.42 -59.99 4.41 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 116.194 -0.457 . . . . 2.46 110.838 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -47.77 -42.9 26.85 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.414 0.626 . . . . 0.45 110.724 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 82.3 mt -68.44 -49.62 58.62 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.086 -0.507 . . . . 0.45 112.33 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -71.88 -27.51 62.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.66 0.244 . . . . 1.23 111.66 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.752 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.04 -36.36 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.795 0.665 . . . . 1.61 112.795 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 9.2 mm-40 -98.1 -42.22 7.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 1.67 110.812 -171.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.631 ' HG ' HD11 ' B' ' 8' ' ' LEU . 6.6 mp -103.41 24.77 10.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.434 0.635 . . . . 1.42 109.781 -178.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -51.28 -32.07 23.42 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.445 -1.252 . . . . 0.78 114.359 -172.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -108.29 -1.96 19.64 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.762 -0.375 . . . . 2.16 111.611 -171.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -96.62 -58.48 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.472 0.653 . . . . 0.66 110.457 -171.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.596 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.2 mt -82.03 139.78 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.969 -1.014 . . . . 0.6 109.907 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' O ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -59.83 123.76 18.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 123.167 0.292 . . . . 1.61 110.295 -175.23 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' LYS . 4.4 m-20 42.6 43.86 3.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.977 0.798 . . . . 1.48 111.828 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.596 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.8 tp -61.84 -5.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.98 0.895 . . . . 0.55 111.149 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 47' ' ' ASN . 10.7 mmmm -79.01 -20.65 48.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.159 -0.928 . . . . 1.11 109.862 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -84.24 128.12 34.37 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.406 -0.815 . . . . 1.58 111.249 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.9 tmtp? -62.21 -28.99 70.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.741 -1.118 . . . . 0.92 109.955 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.57 77.5 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.276 0.56 . . . . 0.67 109.527 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 57' ' ' ILE . 14.1 t -67.79 -44.8 85.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.922 -1.035 . . . . 0.6 108.935 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 34' ' ' LYS . 69.1 mt -61.99 -38.44 80.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.653 -1.158 . . . . 0.42 111.001 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.606 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 31.3 t70 -63.07 -51.03 68.26 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.47 -0.786 . . . . 1.53 109.2 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.28 -45.09 44.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.713 -1.13 . . . . 1.77 111.439 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.662 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.9 mt -72.4 -52.48 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.807 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 69' ' ' VAL . 83.1 t80 -50.48 -47.06 57.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.71 -0.677 . . . . 1.68 110.849 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.4 mm-40 -62.78 -34.36 77.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.457 -0.792 . . . . 1.92 110.385 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.21 -26.1 74.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.969 -0.634 . . . . 0.53 112.602 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -89.21 -44.6 10.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.102 -0.703 . . . . 0.58 109.102 179.392 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -70.87 73.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.305 -0.861 . . . . 1.4 110.833 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 -16.41 62.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.174 -0.921 . . . . 1.3 109.954 176.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -20.53 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.418 -0.81 . . . . 2.8 109.778 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 56.21 35.1 25.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.783 -1.099 . . . . 2.72 110.758 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -114.95 0.39 13.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 2.13 110.488 -175.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 69.14 37.57 2.12 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.206 -0.906 . . . . 2.02 110.351 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -137.54 117.45 13.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 2.16 109.36 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG13 ' CE1' ' A' ' 58' ' ' PHE . 3.8 m -97.16 107.75 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.374 0.606 . . . . 1.81 111.019 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.97 176.18 4.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 2.02 109.556 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -59.67 -28.35 67.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.508 -0.553 . . . . 2.17 109.508 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 56.4 tt0 -65.56 -44.37 86.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.274 0.559 . . . . 1.66 110.584 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -67.02 -28.25 68.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.743 0.782 . . . . 1.99 109.862 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . 76.7 t80 -73.33 -25.34 60.59 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.495 -0.775 . . . . 1.92 110.066 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.62 HG23 ' HB1' ' B' ' 79' ' ' ALA . 1.1 mp -62.42 -44.62 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.379 -0.6 . . . . 0.67 109.379 174.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.582 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.3 p -74.32 -28.31 61.1 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.821 -0.627 . . . . 0.74 110.7 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.4 tm? -58.54 -47.6 83.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.976 0.417 . . . . 1.15 109.984 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.494 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.9 t -68.66 -28.31 39.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.13 -0.486 . . . . 0.33 110.271 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' B' ' 75' ' ' ILE . . . -58.28 -50.24 74.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.529 0.681 . . . . 0.43 109.55 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.586 HG23 ' HE2' ' A' ' 91' ' ' LYS . 1.7 mp -56.46 -41.78 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.025 -0.989 . . . . 0.4 110.461 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.844 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -71.82 -39.8 69.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.396 -0.82 . . . . 0.28 112.506 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.513 ' HB2' HG13 ' B' ' 75' ' ' ILE . 94.8 mt -64.32 -41.76 96.65 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.53 0.681 . . . . 0.33 109.882 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 8.7 tptm -65.71 -33.77 76.65 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.929 -1.032 . . . . 1.67 109.148 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -70.13 -22.92 62.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.504 -0.317 . . . . 0.48 111.05 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.29 -60.22 2.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.852 0.315 . . . . 0.57 111.852 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.482 ' HB2' HG13 ' B' ' 12' ' ' VAL . 1.5 t60 -77.68 -46.47 21.81 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.427 0.632 . . . . 2.68 110.842 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.596 ' HB3' ' O ' ' A' ' 83' ' ' LYS . 22.9 t80 -86.63 24.81 1.36 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.859 -1.064 . . . . 1.8 109.609 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' A' ' 90' ' ' HIS . 31.6 t60 -48.84 17.99 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.085 1.754 . . . . 3.26 114.602 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 87' ' ' TYR . 15.0 t -81.82 15.82 2.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.891 -0.781 . . . . 1.26 108.891 172.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 88' ' ' HIS . 30.2 m80 81.0 82.31 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.162 -1.381 . . . . 3.47 109.189 -175.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HE2' HG23 ' A' ' 80' ' ' ILE . 2.6 ttpp -50.41 -40.07 48.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.011 -0.995 . . . . 3.47 110.063 173.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.064 -0.97 . . . . 7.09 111.136 177.077 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.153 -0.314 . . . . 6.42 110.153 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -69.07 140.16 54.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.032 0.444 . . . . 4.26 110.6 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -90.96 -4.42 56.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 6.04 110.491 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 86.0 mt 67.94 19.37 9.44 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.489 -0.778 . . . . 4.5 110.692 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.46 -14.94 63.35 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.548 -0.751 . . . . 3.1 110.192 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.39 -18.9 62.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.092 -0.958 . . . . 2.51 110.662 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.601 ' O ' HG13 ' B' ' 11' ' ' ILE . 31.5 m80 -71.49 -49.51 40.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.462 -0.335 . . . . 2.16 110.562 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.844 HD13 ' HB1' ' A' ' 81' ' ' ALA . 76.4 mt -63.25 -60.68 3.08 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.34 111.245 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -22.38 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.777 -0.647 . . . . 2.41 109.994 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.669 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -72.49 -36.34 59.07 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.423 -0.808 . . . . 0.44 112.623 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 7' ' ' HIS . 56.6 mt -74.26 -39.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.308 -0.627 . . . . 1.16 109.308 178.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 85' ' ' ALA . 64.9 t -55.53 -39.68 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.183 -0.917 . . . . 0.57 109.968 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.02 -32.44 72.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.013 -0.994 . . . . 1.42 111.109 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.669 HG13 ' O ' ' B' ' 10' ' ' GLY . 73.9 mt -64.9 -42.63 95.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 120.922 0.391 . . . . 2.06 110.622 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.61 -35.29 80.53 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.74 -0.467 . . . . 2.58 109.74 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -72.6 -24.95 61.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 2.23 110.946 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 0.0 OUTLIER -67.2 -50.06 62.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 2.77 111.523 -174.052 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -85.21 -48.29 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.748 -0.781 . . . . 6.25 112.313 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -67.28 -67.28 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.755 -0.378 . . . . 3.02 111.902 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 57.7 t 71.31 -50.94 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.248 0.619 . . . . 4.12 111.998 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -78.88 62.64 3.4 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.98 0.512 . . . . 7.28 111.871 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -89.27 84.17 6.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.015 0.436 . . . . 8.71 110.367 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.76 -111.18 0.57 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.926 -0.654 . . . . 5.68 112.703 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -93.37 33.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.913 0.387 . . . . 8.27 110.756 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 56.34 45.03 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.537 -0.756 . . . . 7.5 112.213 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -127.69 -10.98 5.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.574 0.702 . . . . 5.62 109.888 173.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.4 p -86.71 -22.27 26.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.462 -0.79 . . . . 3.95 112.199 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.542 ' H ' ' CD2' ' B' ' 28' ' ' LEU . 1.1 pt? -81.67 66.13 7.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.292 1.044 . . . . 2.91 110.943 -175.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -100.1 -170.48 1.88 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.754 -1.112 . . . . 1.35 110.451 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.575 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 22.4 ttmt -60.21 -23.62 64.17 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 111.509 0.189 . . . . 1.32 111.509 -176.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.56 17.08 Favored Glycine 0 C--O 1.235 0.174 0 N-CA-C 114.1 0.4 . . . . 0.4 114.1 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' B' ' 32' ' ' GLU . 6.6 pt-20 -69.83 -38.08 76.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.51 0.189 . . . . 2.43 111.51 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.661 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -57.52 -51.59 68.86 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.238 -0.653 . . . . 0.52 109.238 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' B' ' 54' ' ' ILE . 26.4 ttpp -49.45 -51.28 36.74 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.568 -1.196 . . . . 1.87 111.219 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.746 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 6.4 mm100 -61.58 -60.14 4.15 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.227 -0.442 . . . . 2.45 110.814 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -47.47 -42.9 23.66 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.566 0.698 . . . . 0.45 110.735 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 82.4 mt -68.64 -49.46 58.94 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 116.087 -0.506 . . . . 0.45 112.252 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.2 t -71.96 -27.39 62.75 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.687 0.255 . . . . 1.23 111.687 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.746 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -97.11 -36.43 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.71 0.634 . . . . 1.62 112.71 -179.294 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 7.6 mm-40 -98.12 -42.2 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 1.67 110.772 -171.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.61 ' HG ' HD11 ' A' ' 8' ' ' LEU . 6.6 mp -103.49 24.78 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 1.42 109.712 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -51.32 -32.27 24.64 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 114.388 1.255 . . . . 0.78 114.388 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -107.69 -2.77 19.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.917 0.389 . . . . 2.16 111.702 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -96.11 -58.63 2.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.553 0.692 . . . . 0.66 110.389 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.2 mt -81.95 139.57 17.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.949 -1.023 . . . . 0.6 109.927 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.41 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -59.56 123.51 17.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.199 0.312 . . . . 1.61 110.387 -175.487 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 42.69 43.84 3.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.999 0.812 . . . . 1.48 111.832 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.9 tp -61.81 -5.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.895 0.855 . . . . 0.56 111.05 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -79.05 -20.9 47.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.217 -0.902 . . . . 1.11 109.782 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.07 128.43 34.55 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.382 -0.826 . . . . 1.59 111.112 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.575 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.9 tmtp? -62.75 -28.88 70.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.828 -1.078 . . . . 0.92 109.968 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.65 77.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.407 -0.59 . . . . 0.67 109.407 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.427 ' O ' HG13 ' B' ' 57' ' ' ILE . 13.9 t -67.68 -44.7 85.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.993 -1.003 . . . . 0.6 108.946 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' B' ' 34' ' ' LYS . 69.2 mt -62.21 -38.14 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.691 -1.14 . . . . 0.42 110.961 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.616 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 28.2 t70 -63.37 -50.96 67.86 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.436 -0.802 . . . . 1.53 109.219 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -49.25 -45.09 44.28 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.741 -1.118 . . . . 1.77 111.384 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.654 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.4 mt -72.28 -52.45 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.886 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.457 ' CE1' HG13 ' B' ' 69' ' ' VAL . 82.7 t80 -50.68 -47.06 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 1.67 110.766 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.8 mm-40 -62.92 -34.11 76.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.804 . . . . 1.91 110.381 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.04 -26.55 73.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.939 -0.648 . . . . 0.53 112.551 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.7 OUTLIER -88.85 -44.83 10.2 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.137 -0.69 . . . . 0.59 109.137 179.518 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -70.57 74.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.24 -0.891 . . . . 1.4 110.899 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.4 -16.36 62.95 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.111 -0.95 . . . . 1.31 109.971 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -20.48 60.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.566 -0.743 . . . . 2.8 109.901 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 56.35 35.16 25.41 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.815 -1.084 . . . . 2.72 110.602 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -114.86 0.24 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.897 -0.592 . . . . 2.14 110.313 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 68.92 37.64 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.315 -0.857 . . . . 2.01 110.35 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -137.35 117.62 13.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.42 -0.809 . . . . 2.16 109.336 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.457 HG13 ' CE1' ' B' ' 58' ' ' PHE . 3.9 m -97.34 107.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.345 0.593 . . . . 1.81 111.156 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.84 176.27 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.689 -0.687 . . . . 2.02 109.579 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -59.85 -28.22 67.32 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.444 -0.576 . . . . 2.18 109.444 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.54 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 56.0 tt0 -65.61 -44.29 87.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.248 0.547 . . . . 1.67 110.668 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -67.19 -28.12 67.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.601 0.715 . . . . 1.99 109.683 175.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.443 ' O ' HG23 ' B' ' 78' ' ' VAL . 77.1 t80 -73.32 -25.4 60.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.639 -0.71 . . . . 1.92 110.023 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.614 HG23 ' HB1' ' A' ' 79' ' ' ALA . 1.1 mp -62.46 -44.56 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 109.384 -0.599 . . . . 0.67 109.384 174.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.587 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.3 p -74.32 -28.28 61.09 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.802 -0.636 . . . . 0.74 110.709 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.632 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.4 tm? -58.59 -47.62 83.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 1.14 109.967 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.5 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 44.7 t -68.73 -28.13 38.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 0.33 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.62 ' HB1' HG23 ' A' ' 75' ' ' ILE . . . -58.41 -50.21 74.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.466 0.651 . . . . 0.43 109.513 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.602 HG23 ' HE2' ' B' ' 91' ' ' LYS . 1.7 mp -56.19 -42.05 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.068 -0.969 . . . . 0.4 110.428 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.869 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -71.85 -39.6 69.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.405 -0.816 . . . . 0.28 112.532 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.502 ' HB2' HG13 ' A' ' 75' ' ' ILE . 94.8 mt -64.37 -41.96 96.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.515 0.674 . . . . 0.33 109.776 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.614 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 8.7 tptm -65.55 -33.62 76.33 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.941 -1.027 . . . . 1.67 109.27 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -70.37 -22.81 62.73 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.47 -0.332 . . . . 0.48 111.129 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.549 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.33 -60.52 2.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.508 -0.315 . . . . 0.57 111.73 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.49 ' HB2' HG13 ' A' ' 12' ' ' VAL . 1.5 t60 -77.41 -46.26 23.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.552 0.691 . . . . 2.68 110.952 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.614 ' HB3' ' O ' ' B' ' 83' ' ' LYS . 23.5 t80 -86.93 24.72 1.44 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.913 -1.04 . . . . 1.8 109.503 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 30.9 t60 -48.73 18.25 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.018 1.727 . . . . 3.27 114.648 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.591 ' H ' ' C ' ' B' ' 87' ' ' TYR . 15.1 t -82.09 15.59 2.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.036 -0.727 . . . . 1.27 109.036 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.467 ' H ' ' C ' ' B' ' 88' ' ' HIS . 31.0 m80 81.59 81.67 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 114.014 -1.448 . . . . 3.47 109.274 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.602 ' HE2' HG23 ' B' ' 80' ' ' ILE . 2.6 ttpp -49.83 -40.03 40.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.151 -0.931 . . . . 3.47 110.155 173.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.176 -0.916 . . . . 7.08 111.269 177.296 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.04 -0.356 . . . . 6.42 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.0 t -173.32 21.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.443 0.64 . . . . 4.25 110.114 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.09 -3.41 35.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 6.05 111.795 -175.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.429 HD23 ' OE1' ' B' ' 40' ' ' GLU . 4.0 mm? -71.02 -17.37 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.067 -0.253 . . . . 4.5 110.462 178.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.96 -42.34 79.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.041 -0.527 . . . . 3.1 109.655 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.83 -25.65 65.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.638 -0.71 . . . . 2.51 110.896 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' B' ' 7' ' ' HIS . 19.8 m80 -78.83 -50.65 10.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.257 -0.429 . . . . 2.16 110.064 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.723 HD13 ' HB1' ' B' ' 81' ' ' ALA . 84.8 mt -62.46 -60.3 3.74 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.613 0.57 . . . . 0.34 110.767 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.01 -32.61 72.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.231 -0.895 . . . . 2.41 110.608 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.25 92.86 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.945 -0.571 . . . . 0.44 112.631 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 14' ' ' ILE . 29.2 mm -66.96 -41.68 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.64 0.733 . . . . 1.16 109.662 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -64.07 -45.84 95.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.087 -0.96 . . . . 0.57 111.363 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.68 -40.08 94.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 1.42 111.227 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 11' ' ' ILE . 10.0 tp -70.56 -28.03 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.847 -0.341 . . . . 2.06 110.733 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.414 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.5 t80 -70.4 -36.14 73.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.579 -0.526 . . . . 2.57 109.579 175.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -70.43 -19.98 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.576 -0.738 . . . . 2.23 110.165 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -74.76 -59.94 2.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 2.77 110.669 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -78.54 -36.25 44.97 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.991 0.367 . . . . 6.25 111.991 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.413 ' HB3' HD13 ' A' ' 28' ' ' LEU . 50.4 m -99.32 172.85 7.08 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.645 -0.502 . . . . 3.01 109.645 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 t 55.04 44.37 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.86 -0.793 . . . . 4.13 108.86 -174.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -134.93 84.61 2.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.534 -0.757 . . . . 7.28 110.628 -170.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 tttm 72.26 154.41 0.14 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.826 0.704 . . . . 8.7 111.249 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.03 125.05 4.93 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.829 -0.7 . . . . 5.67 112.315 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -68.38 87.75 0.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.98 -0.378 . . . . 8.27 109.98 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 56.65 38.33 29.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.851 -0.613 . . . . 7.5 110.333 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -104.65 -18.22 14.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.569 -0.741 . . . . 5.62 110.057 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -91.42 -174.94 4.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.671 -0.695 . . . . 3.94 110.597 176.612 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 27' ' ' THR . 3.9 mm? 73.67 11.74 4.63 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.222 0.609 . . . . 2.91 110.285 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -103.37 -171.71 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.578 -0.283 . . . . 1.35 111.27 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 20.7 ttmt -64.86 -25.43 67.89 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.939 -0.304 . . . . 1.32 110.826 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.73 -53.83 34.0 Favored Glycine 0 CA--C 1.505 -0.546 0 CA-C-O 121.564 0.536 . . . . 0.4 112.407 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -76.04 -38.65 56.95 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.288 -0.956 . . . . 2.44 110.831 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 25.0 tp -60.98 -47.99 83.88 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.354 -0.839 . . . . 0.52 109.033 175.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HG3' HD13 ' A' ' 54' ' ' ILE . 4.4 ttpm? -54.25 -50.53 67.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.68 . . . . 1.87 110.53 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 52.7 tt0 -53.45 -59.42 4.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.917 -0.583 . . . . 2.46 110.492 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.55 -51.93 63.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 120.942 0.401 . . . . 0.45 110.848 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 84.5 mt -63.62 -47.82 79.8 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.61 0.596 . . . . 0.45 112.61 -173.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 32.5 p -64.5 -33.23 75.42 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.677 0.251 . . . . 1.23 111.677 -174.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -96.17 -37.13 10.7 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.404 0.52 . . . . 1.61 112.404 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 59.6 mm-40 -90.34 -47.01 8.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.126 -0.23 . . . . 1.67 111.459 -170.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' B' ' 8' ' ' LEU . 1.6 mm? -108.27 30.31 6.53 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.396 0.617 . . . . 1.42 110.573 -177.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -58.05 -24.06 56.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.069 -0.969 . . . . 0.78 111.814 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -98.87 -5.17 31.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.871 -0.604 . . . . 2.16 111.322 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.25 -62.39 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.45 0.643 . . . . 0.66 110.987 -170.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.615 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.9 mt -80.68 131.32 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.313 -0.858 . . . . 0.6 110.399 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.67 30.88 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.219 0.325 . . . . 1.61 110.702 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.429 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.0 m-20 44.54 41.43 4.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.713 -0.676 . . . . 1.48 112.023 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.615 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.3 tp -65.41 -4.37 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 122.048 0.928 . . . . 0.55 110.377 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -82.02 -18.33 43.68 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.773 -1.103 . . . . 1.11 109.792 179.108 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.06 127.55 33.67 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.292 -0.867 . . . . 1.58 110.759 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.31 -23.85 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.625 -0.716 . . . . 0.92 109.882 178.483 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.03 74.97 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.969 -0.752 . . . . 0.67 108.969 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 57' ' ' ILE . 42.4 t -71.96 -45.83 62.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.742 -1.117 . . . . 0.6 109.428 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.522 HD13 ' HG3' ' A' ' 34' ' ' LYS . 95.9 mt -60.08 -42.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.091 -0.959 . . . . 0.42 111.305 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.9 t70 -63.79 -48.36 77.2 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.949 -0.569 . . . . 1.53 109.999 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -47.87 -45.84 30.79 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.728 -0.669 . . . . 1.77 111.113 175.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.574 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 mm -73.31 -52.82 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.894 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -50.73 -48.55 58.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.551 -0.749 . . . . 1.68 110.79 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mm-40 -64.42 -30.53 71.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.224 -0.898 . . . . 1.92 110.657 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.99 75.99 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.908 -0.663 . . . . 0.53 112.369 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -93.6 -43.15 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.148 -0.686 . . . . 0.58 109.148 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -79.75 73.84 6.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.011 -0.995 . . . . 1.4 110.206 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.46 -16.02 60.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.342 -0.845 . . . . 1.3 110.199 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.33 -20.23 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.437 -0.801 . . . . 2.8 110.414 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 62.97 37.28 11.98 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.919 -1.037 . . . . 2.72 111.141 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -107.67 -2.65 19.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.495 . . . . 2.13 110.761 -175.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 68.15 41.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.358 -0.837 . . . . 2.02 111.718 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 68' ' ' GLN . 11.1 pt20 -151.75 117.87 5.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.074 -0.512 . . . . 2.16 110.228 173.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -101.51 125.22 55.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.443 0.639 . . . . 1.81 111.22 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -82.9 -175.59 5.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.763 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -64.46 -30.0 71.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.754 0.312 . . . . 2.17 110.177 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.589 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 33.1 tt0 -67.18 -40.39 86.58 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.529 0.68 . . . . 1.66 110.62 175.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 25.7 mt-10 -76.55 -30.21 57.0 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.391 0.615 . . . . 1.99 109.975 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 78' ' ' VAL . 58.4 t80 -72.05 -20.99 61.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.944 -0.571 . . . . 1.92 109.574 172.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.589 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.6 OUTLIER -66.65 -44.29 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.652 -0.704 . . . . 0.67 109.216 177.279 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.529 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.1 p -65.71 -32.03 73.36 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.736 -0.666 . . . . 0.74 110.464 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.2 tm? -57.4 -45.39 84.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.954 0.407 . . . . 1.15 109.986 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 74' ' ' PHE . 13.4 t -67.17 -29.03 44.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 116.011 -0.54 . . . . 0.33 110.062 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -62.67 -44.37 96.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.37 0.605 . . . . 0.43 109.711 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.529 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -58.71 -47.91 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.356 -0.838 . . . . 0.4 109.851 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -70.13 -33.84 72.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.025 -0.989 . . . . 0.28 112.4 -173.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 80.0 mt -66.65 -41.43 88.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.818 0.342 . . . . 0.33 110.797 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.677 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 10.7 tttt -76.94 -30.82 56.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.374 -0.93 . . . . 1.67 110.492 176.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -54.63 -25.88 29.41 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.81 -0.356 . . . . 0.48 111.104 166.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.01 -53.54 5.74 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.05 0.389 . . . . 0.57 112.05 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' A' ' 88' ' ' HIS . 28.2 t-80 -82.5 -58.92 2.71 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.359 0.599 . . . . 2.68 110.702 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.52 ' C ' ' H ' ' A' ' 89' ' ' THR . 34.9 t80 -74.97 22.96 0.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.049 -0.978 . . . . 1.8 110.503 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.5 p-80 -49.46 13.58 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.14 1.533 . . . . 3.26 115.14 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.52 ' H ' ' C ' ' A' ' 87' ' ' TYR . 6.0 t -74.81 -38.53 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.219 -1.03 . . . . 1.26 108.219 174.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 168.09 78.62 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 114.618 -1.174 . . . . 3.47 109.03 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.744 ' HE2' ' C ' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -52.16 -52.56 51.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.135 -1.061 . . . . 3.47 108.135 173.58 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.548 -0.751 . . . . 7.09 109.77 179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.272 -0.27 . . . . 6.42 110.272 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -172.98 21.1 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.244 0.545 . . . . 4.26 110.072 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.95 -2.88 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 6.04 111.908 -175.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.459 HD23 ' OE1' ' A' ' 40' ' ' GLU . 4.0 mm? -71.63 -17.09 62.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.693 0.282 . . . . 4.5 110.437 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.24 -42.52 81.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.911 -0.586 . . . . 3.1 109.636 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.36 -25.92 64.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.655 -0.702 . . . . 2.51 111.01 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 7' ' ' HIS . 20.9 m80 -78.74 -50.61 11.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.245 -0.434 . . . . 2.16 110.047 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.708 HD13 ' HB1' ' A' ' 81' ' ' ALA . 84.8 mt -62.58 -60.24 3.8 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.517 0.511 . . . . 0.34 110.693 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.92 -32.58 72.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.322 -0.853 . . . . 2.41 110.647 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.21 92.59 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.971 -0.559 . . . . 0.44 112.521 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.493 ' O ' HG22 ' B' ' 14' ' ' ILE . 29.0 mm -67.04 -41.82 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 1.16 109.596 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.83 -45.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.144 -0.935 . . . . 0.57 111.311 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -64.63 -40.18 95.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 1.42 111.345 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.493 HG22 ' O ' ' B' ' 11' ' ' ILE . 9.9 tp -70.47 -28.02 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.904 -0.318 . . . . 2.06 110.758 -177.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.8 t80 -70.55 -35.97 73.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.572 -0.529 . . . . 2.58 109.572 175.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.5 -19.86 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 2.23 110.209 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -74.98 -59.71 2.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 2.77 110.736 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -78.64 -36.39 44.06 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.972 0.36 . . . . 6.25 111.972 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.413 ' HB3' HD13 ' B' ' 28' ' ' LEU . 49.0 m -99.23 172.89 7.07 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.652 -0.499 . . . . 3.02 109.652 176.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 t 54.92 44.15 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.919 0.866 . . . . 4.12 108.988 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -134.82 84.77 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.308 -0.86 . . . . 7.28 110.653 -170.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm 71.92 154.39 0.14 Allowed 'General case' 0 CA--C 1.533 0.318 0 O-C-N 123.877 0.736 . . . . 8.71 111.249 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.24 124.88 4.93 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.826 -0.702 . . . . 5.68 112.329 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -68.01 87.75 0.26 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.991 -0.374 . . . . 8.27 109.991 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 56.67 38.5 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.455 0.645 . . . . 7.5 110.273 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -104.89 -18.29 14.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 5.62 110.128 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 28' ' ' LEU . 0.8 OUTLIER -91.2 -174.78 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.697 -0.683 . . . . 3.95 110.505 176.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' B' ' 27' ' ' THR . 3.9 mm? 73.58 11.65 4.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.113 0.565 . . . . 2.91 110.22 -176.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -103.42 -171.78 2.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.583 -0.281 . . . . 1.35 111.261 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 20.7 ttmt -64.96 -25.36 67.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.912 -0.315 . . . . 1.32 110.756 -177.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.62 -53.81 33.8 Favored Glycine 0 CA--C 1.504 -0.606 0 C-N-CA 121.118 -0.563 . . . . 0.4 112.5 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -76.16 -38.38 56.74 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.209 -0.996 . . . . 2.43 110.851 -172.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.9 tp -61.17 -47.89 84.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.301 -0.863 . . . . 0.52 109.222 175.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.514 ' HG3' HD13 ' B' ' 54' ' ' ILE . 4.4 ttpm? -54.1 -50.81 66.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 1.87 110.569 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 52.4 tt0 -53.21 -59.54 4.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 2.45 110.451 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.59 -52.06 63.35 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.384 0.428 . . . . 0.45 110.822 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 84.4 mt -63.38 -48.05 79.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.683 0.623 . . . . 0.45 112.683 -173.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 31.4 p -64.38 -33.06 74.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.676 0.274 . . . . 1.23 111.716 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.4 ptmm? -96.36 -37.11 10.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.415 0.524 . . . . 1.62 112.415 -176.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.461 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 59.9 mm-40 -90.38 -46.95 8.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.543 0.211 . . . . 1.67 111.5 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.454 ' HG ' HD11 ' A' ' 8' ' ' LEU . 1.6 mm? -108.54 30.43 6.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.287 0.565 . . . . 1.42 110.501 -177.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -58.12 -24.08 57.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.103 -0.953 . . . . 0.78 111.896 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.75 -5.22 31.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.846 -0.615 . . . . 2.16 111.304 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.17 -62.14 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.478 0.656 . . . . 0.66 111.069 -170.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.612 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.7 mt -81.06 131.09 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.325 -0.852 . . . . 0.6 110.453 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.423 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.81 31.55 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.05 0.219 . . . . 1.61 110.831 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.423 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.0 m-20 44.69 41.48 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.846 0.716 . . . . 1.48 112.002 177.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.612 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.3 tp -65.61 -4.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.086 0.946 . . . . 0.56 110.276 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -81.87 -18.3 44.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.743 -1.117 . . . . 1.11 109.804 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.14 127.2 33.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.31 -0.859 . . . . 1.59 110.663 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.466 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.01 -23.92 65.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.585 -0.734 . . . . 0.92 109.934 178.094 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.05 75.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.005 -0.739 . . . . 0.67 109.005 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.468 ' O ' HG12 ' B' ' 57' ' ' ILE . 42.5 t -72.15 -45.86 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.73 -1.123 . . . . 0.6 109.464 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.514 HD13 ' HG3' ' B' ' 34' ' ' LYS . 95.9 mt -59.9 -41.98 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.067 -0.969 . . . . 0.42 111.22 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 22.3 t70 -63.92 -48.14 77.75 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.981 -0.554 . . . . 1.53 109.918 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -48.36 -45.35 35.43 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.671 -0.695 . . . . 1.77 111.096 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.573 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 23.4 mm -73.64 -53.0 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.922 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.71 -48.73 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 1.67 110.842 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.0 mm-40 -64.2 -30.51 71.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.241 -0.89 . . . . 1.91 110.525 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -25.07 75.9 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.822 -0.704 . . . . 0.53 112.478 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.4 OUTLIER -93.5 -42.96 8.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.14 -0.689 . . . . 0.59 109.14 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -79.92 73.85 6.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.063 -0.971 . . . . 1.4 110.312 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.33 -16.05 60.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.422 -0.808 . . . . 1.31 110.145 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.22 -20.17 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.455 -0.793 . . . . 2.8 110.226 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 63.02 37.03 12.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.076 -0.966 . . . . 2.72 111.085 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -107.54 -2.55 20.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.174 0.512 . . . . 2.14 110.847 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 68.26 41.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.355 -0.839 . . . . 2.01 111.784 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 11.1 pt20 -151.51 117.89 5.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 2.16 110.233 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 m -101.54 125.11 55.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.455 0.645 . . . . 1.81 111.201 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.81 -175.35 5.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 2.02 109.792 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.57 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.153 -0.314 . . . . 2.18 110.153 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.588 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 33.3 tt0 -67.16 -40.8 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.584 0.707 . . . . 1.67 110.583 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 26.0 mt-10 -76.15 -30.24 58.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.801 -0.636 . . . . 1.99 109.931 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 78' ' ' VAL . 57.7 t80 -71.96 -21.13 61.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.953 -0.567 . . . . 1.92 109.552 172.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.588 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.6 OUTLIER -66.59 -44.12 90.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 0.67 109.202 177.33 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.542 ' O ' HD13 ' B' ' 80' ' ' ILE . 0.9 OUTLIER -65.85 -31.94 73.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.743 -0.662 . . . . 0.74 110.49 173.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.2 tm? -57.5 -45.26 85.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.92 -0.4 . . . . 1.14 109.92 176.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 74' ' ' PHE . 13.3 t -67.32 -29.08 44.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.153 -0.476 . . . . 0.33 109.978 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.56 -44.5 96.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.357 0.598 . . . . 0.43 109.689 174.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.542 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -58.67 -47.81 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.234 -0.894 . . . . 0.4 109.942 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.723 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -70.3 -33.69 71.85 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.003 -0.999 . . . . 0.28 112.465 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 80.1 mt -66.74 -41.45 87.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.752 0.311 . . . . 0.33 110.711 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.674 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 10.6 tttt -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.355 -0.938 . . . . 1.67 110.401 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.593 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -54.51 -26.0 28.96 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.79 -0.364 . . . . 0.48 111.026 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.04 -53.04 6.11 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.173 0.435 . . . . 0.57 112.173 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' B' ' 88' ' ' HIS . 28.6 t-80 -82.84 -58.81 2.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.208 0.528 . . . . 2.68 110.833 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.509 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.5 t80 -75.13 22.85 0.11 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.186 0.994 . . . . 1.8 110.518 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.5 p-80 -49.31 13.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.317 1.599 . . . . 3.27 115.317 -177.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.9 t -74.67 -38.6 62.38 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.313 -0.995 . . . . 1.27 108.313 174.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 168.2 78.63 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 114.531 -1.213 . . . . 3.47 109.034 175.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.749 ' C ' ' HE2' ' B' ' 91' ' ' LYS . 0.6 OUTLIER -52.29 -52.68 51.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.12 -1.067 . . . . 3.47 108.12 173.71 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.244 0.801 0 O-C-N 123.939 0.775 . . . . 7.08 109.948 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 57.2 ttp . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.631 -0.137 . . . . 6.42 110.631 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 p 49.49 45.52 23.94 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.336 0.654 . . . . 4.25 112.409 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 1' ' ' MET . 29.3 mtpp -117.08 14.92 15.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.421 . . . . 6.05 110.229 178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.31 126.38 27.29 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.659 -0.701 . . . . 4.5 110.132 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.596 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.7 pt-20 45.84 19.25 0.05 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.397 1.079 . . . . 3.1 113.289 -176.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -33.15 72.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.297 0.57 . . . . 2.51 110.178 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.536 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 63.9 m-70 -82.99 -30.94 27.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.792 -0.64 . . . . 2.16 110.594 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 87.6 mt -74.0 -60.6 2.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.166 0.508 . . . . 0.34 110.78 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.06 -22.18 65.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.577 -0.738 . . . . 2.41 109.128 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.717 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -62.52 -46.93 92.77 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.638 -0.71 . . . . 0.44 111.687 172.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.607 HG21 HG21 ' A' ' 78' ' ' VAL . 22.4 mm -62.48 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.217 0.532 . . . . 1.16 110.01 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.515 ' CG1' ' HB2' ' B' ' 86' ' ' HIS . 33.9 t -49.92 -42.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.232 -0.894 . . . . 0.57 111.101 171.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -78.73 -18.03 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.684 . . . . 1.42 111.196 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.717 HG12 ' O ' ' A' ' 10' ' ' GLY . 48.6 mm -74.7 -36.56 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.066 0.46 . . . . 2.06 109.876 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -64.63 -37.37 87.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.272 -1.01 . . . . 2.57 108.272 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -69.98 -20.47 63.3 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.76 -1.109 . . . . 2.23 110.765 174.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.509 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 29.7 tt0 -64.84 -48.7 73.38 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.699 -0.482 . . . . 2.77 109.699 178.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 52.9 t80 -68.59 -59.3 3.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 119.815 -0.754 . . . . 6.25 110.127 169.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -91.0 87.77 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.068 0.461 . . . . 3.01 110.358 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.0 -25.41 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.937 -0.574 . . . . 4.13 110.937 -177.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -66.96 125.78 27.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 7.28 110.405 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -81.78 100.31 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.256 0.551 . . . . 8.7 110.766 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.14 -158.16 8.89 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.683 -0.69 . . . . 5.67 111.511 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -134.03 -33.85 1.01 Allowed 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.646 -0.326 . . . . 8.27 110.416 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -85.87 55.78 3.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.651 0.738 . . . . 7.5 109.432 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.06 112.34 24.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.504 -0.771 . . . . 5.62 110.636 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 28' ' ' LEU . 2.9 t -150.99 -59.93 0.18 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.679 -0.691 . . . . 3.94 110.361 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' H ' HG23 ' A' ' 27' ' ' THR . 96.1 mt 58.43 177.95 0.07 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.679 0.752 . . . . 2.91 112.182 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 p -104.88 -178.8 3.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.552 -0.749 . . . . 1.35 111.078 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 3.0 ttmp? -48.85 -20.04 0.45 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.527 1.306 . . . . 1.32 114.527 -166.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.52 -42.11 26.41 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 114.474 0.55 . . . . 0.4 114.474 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -82.34 -42.34 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.065 0.432 . . . . 2.44 111.565 -173.782 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.501 HD11 ' HG ' ' A' ' 77' ' ' LEU . 14.5 tp -58.87 -42.43 89.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.389 -0.597 . . . . 0.52 109.389 175.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HA ' HD13 ' A' ' 54' ' ' ILE . 27.8 ttpp -56.48 -46.19 80.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.015 -0.993 . . . . 1.87 110.658 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.614 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 35.1 mt-30 -63.56 -61.77 2.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.509 -0.314 . . . . 2.46 110.784 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.652 HD11 HG22 ' A' ' 14' ' ' ILE . 10.5 tt -48.31 -50.11 31.42 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.586 0.554 . . . . 0.45 111.084 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.1 mt -65.68 -47.26 76.06 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.378 0.51 . . . . 0.45 112.378 -175.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 49' ' ' LYS . 34.7 p -67.64 -30.14 69.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.719 0.266 . . . . 1.23 111.719 -175.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.7 ptmm? -96.59 -37.94 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.326 0.491 . . . . 1.61 112.326 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 13.5 mm-40 -94.47 -36.09 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 1.67 111.214 -170.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD13 HD11 ' B' ' 8' ' ' LEU . 26.4 mt -116.94 29.43 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.373 0.606 . . . . 1.42 109.632 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.1 -34.78 45.61 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.529 -1.214 . . . . 0.78 113.254 -176.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -99.0 -10.78 22.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.783 0.325 . . . . 2.16 111.488 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.616 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -91.19 -65.88 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.593 0.711 . . . . 0.66 110.513 -168.329 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.4 mt -73.32 132.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 114.668 -1.151 . . . . 0.6 109.227 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 125.84 25.26 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 123.139 0.274 . . . . 1.61 110.583 -174.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.4 ' HB2' HG21 ' A' ' 53' ' ' VAL . 2.1 m-20 47.84 39.99 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.659 -0.701 . . . . 1.48 110.911 176.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.5 tp -60.94 -9.46 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.76 0.791 . . . . 0.55 111.073 -176.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.7 mmmm -81.14 -7.89 59.65 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.192 -0.913 . . . . 1.11 110.522 -178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 54' ' ' ILE . 3.1 t70 -95.59 132.47 40.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.825 -0.625 . . . . 1.58 110.185 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -22.34 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 0.92 110.051 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.27 -32.8 73.23 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.634 0.73 . . . . 0.67 109.067 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.6 t -80.61 -46.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.561 -1.2 . . . . 0.6 109.659 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 34' ' ' LYS . 47.5 mt -58.18 -36.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 0.42 110.812 175.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -62.79 -52.87 61.51 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 115.543 -0.753 . . . . 1.53 109.135 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 41.9 mm-40 -47.62 -47.43 29.0 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.381 -0.827 . . . . 1.77 111.555 176.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.45 -59.22 4.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.935 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 27.4 t80 -59.56 -44.74 93.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.18 -0.463 . . . . 1.68 110.52 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.11 -26.4 68.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.37 -0.832 . . . . 1.92 110.24 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.7 63.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.53 112.266 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.625 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mt -87.61 -46.89 9.14 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.897 -0.779 . . . . 0.58 108.897 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.96 73.78 1.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.683 -1.144 . . . . 1.4 110.514 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.13 63.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.083 -0.962 . . . . 1.3 110.682 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -73.37 -19.68 60.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.65 -0.704 . . . . 2.8 110.286 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 61.61 38.6 15.31 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 114.89 -1.05 . . . . 2.72 111.717 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -118.05 8.1 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.292 0.568 . . . . 2.13 110.183 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 67.88 44.17 1.6 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.959 -1.019 . . . . 2.02 110.906 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -137.16 118.01 14.15 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.938 0.399 . . . . 2.16 110.957 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 p -91.58 108.88 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.285 0.564 . . . . 1.81 111.23 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.612 ' HB2' ' OE1' ' A' ' 73' ' ' GLU . 4.7 m-20 -81.98 179.14 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.801 -0.562 . . . . 2.02 109.755 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -60.37 -32.55 71.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.714 -0.394 . . . . 2.17 110.324 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.449 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.7 tt0 -70.01 -43.11 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 1.66 111.067 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 61' ' ' LEU . 3.7 mp0 -63.48 -41.41 98.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 1.99 109.524 175.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.2 t80 -65.75 -28.67 69.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.73 . . . . 1.92 110.159 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.536 HG12 ' HB2' ' B' ' 82' ' ' LEU . 1.3 mt -65.17 -39.05 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 0.67 109.255 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD13 ' A' ' 80' ' ' ILE . 27.8 m -64.19 -40.53 96.27 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.876 -1.056 . . . . 0.74 109.673 176.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.511 HD23 ' CG2' ' A' ' 57' ' ' ILE . 1.4 tm? -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 1.15 110.378 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.666 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 21.9 t -62.81 -33.45 60.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 0.33 109.941 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -62.45 -48.25 80.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.0 -0.545 . . . . 0.43 110.175 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.06 -43.84 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.358 -0.837 . . . . 0.4 110.364 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -73.82 -30.25 62.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.197 -0.91 . . . . 0.28 111.923 -174.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 48.5 mt -64.43 -42.89 95.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.124 0.488 . . . . 0.33 109.69 173.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -61.07 -46.67 89.72 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 115.618 -0.719 . . . . 1.67 109.568 173.31 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.46 -22.35 54.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.0 -0.545 . . . . 0.48 111.919 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -81.06 -59.87 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.306 0.484 . . . . 0.57 112.306 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.521 ' HB2' ' CG1' ' B' ' 12' ' ' VAL . 78.5 t60 -86.29 -36.35 19.37 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.138 0.494 . . . . 2.68 111.26 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.557 ' C ' ' H ' ' A' ' 89' ' ' THR . 35.7 t80 -86.02 23.44 1.5 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.44 -0.8 . . . . 1.8 108.987 174.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.65 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 16.8 t-80 -46.61 19.2 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 126.651 1.981 . . . . 3.26 115.2 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.557 ' H ' ' C ' ' A' ' 87' ' ' TYR . 11.6 t -93.84 21.14 6.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.691 -0.855 . . . . 1.26 108.691 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 89' ' ' THR . 16.5 m170 80.09 88.79 0.05 Allowed 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 114.039 -1.437 . . . . 3.47 108.862 -174.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HG3' ' HB3' ' A' ' 83' ' ' LYS . 2.7 ttpp -52.22 -15.05 0.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.314 -1.312 . . . . 3.47 111.386 173.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.245 0.861 0 C-N-CA 123.388 0.675 . . . . 7.09 110.205 178.586 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.454 ' O ' ' HG3' ' B' ' 3' ' ' LYS . 56.5 ttp . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.459 0.171 . . . . 6.42 110.554 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 29.7 p 49.97 45.0 25.56 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.397 0.679 . . . . 4.26 112.391 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' B' ' 1' ' ' MET . 29.2 mtpp -116.7 15.0 15.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 6.04 110.185 179.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.21 126.24 26.65 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.683 -0.69 . . . . 4.5 110.12 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.616 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.7 pt-20 45.91 19.39 0.06 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.432 1.093 . . . . 3.1 113.193 -176.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -33.25 73.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.477 0.656 . . . . 2.51 110.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.542 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 63.6 m-70 -82.94 -31.0 27.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.803 -0.635 . . . . 2.16 110.604 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.595 HD13 ' HB1' ' A' ' 81' ' ' ALA . 87.5 mt -73.9 -60.68 2.14 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.08 0.467 . . . . 0.34 110.725 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.99 -22.36 65.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.532 -0.758 . . . . 2.41 109.133 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.698 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -62.19 -47.22 91.24 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.551 -0.75 . . . . 0.44 111.59 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.601 HG21 HG21 ' B' ' 78' ' ' VAL . 22.5 mm -62.29 -45.42 98.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.235 0.54 . . . . 1.16 110.043 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.521 ' CG1' ' HB2' ' A' ' 86' ' ' HIS . 34.7 t -50.06 -42.53 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.162 -0.927 . . . . 0.57 111.18 171.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.75 -17.95 55.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 1.42 111.327 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.698 HG12 ' O ' ' B' ' 10' ' ' GLY . 48.8 mm -74.74 -36.74 41.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.119 0.485 . . . . 2.06 109.867 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.5 -37.62 88.18 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.238 -1.023 . . . . 2.58 108.238 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -69.76 -20.59 63.49 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.651 -1.159 . . . . 2.23 110.887 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.505 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 29.8 tt0 -64.56 -49.11 72.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.608 -0.516 . . . . 2.77 109.608 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' B' ' 32' ' ' GLU . 53.7 t80 -68.23 -59.17 3.41 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.844 -0.742 . . . . 6.25 110.146 169.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -90.95 87.51 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 3.02 110.393 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 p -76.14 -24.89 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 4.12 111.065 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -67.24 125.78 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 7.28 110.324 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -81.57 100.27 9.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.135 0.493 . . . . 8.71 110.779 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.73 -157.57 8.77 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.395 -0.682 . . . . 5.68 111.395 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -134.78 -33.64 0.94 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.81 0.338 . . . . 8.27 110.474 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -85.87 56.22 3.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.583 0.706 . . . . 7.5 109.275 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -98.57 112.3 24.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.537 -0.756 . . . . 5.62 110.718 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.519 HG23 ' H ' ' B' ' 28' ' ' LEU . 2.8 t -151.21 -59.94 0.17 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.638 -0.71 . . . . 3.95 110.324 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.519 ' H ' HG23 ' B' ' 27' ' ' THR . 95.6 mt 58.32 177.99 0.06 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.739 0.78 . . . . 2.91 112.204 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -104.9 -178.79 3.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.522 -0.763 . . . . 1.35 111.098 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 3.0 ttmp? -48.66 -20.12 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.575 1.324 . . . . 1.32 114.575 -166.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.63 -42.2 27.39 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 114.403 0.521 . . . . 0.4 114.403 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.525 ' HB3' ' CE1' ' B' ' 18' ' ' TYR . 0.0 OUTLIER -82.37 -42.21 18.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.011 0.405 . . . . 2.43 111.551 -173.741 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.5 tp -58.89 -42.28 89.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.317 0.58 . . . . 0.52 109.487 174.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.478 ' HA ' HD13 ' B' ' 54' ' ' ILE . 27.7 ttpp -56.72 -46.07 81.52 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.077 -0.965 . . . . 1.87 110.755 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.631 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 35.2 mt-30 -63.61 -61.71 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.428 -0.351 . . . . 2.45 110.686 174.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.661 HD11 HG22 ' B' ' 14' ' ' ILE . 10.5 tt -48.31 -50.22 30.96 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.634 0.584 . . . . 0.45 111.121 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 80.6 mt -65.52 -47.34 76.27 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.442 0.534 . . . . 0.45 112.442 -175.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.471 HG22 ' HA ' ' B' ' 49' ' ' LYS . 35.1 p -67.69 -29.87 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.796 0.295 . . . . 1.23 111.796 -175.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.6 ptmm? -96.75 -37.94 10.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.347 0.499 . . . . 1.62 112.347 -177.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.443 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 14.4 mm-40 -94.52 -35.99 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.923 0.392 . . . . 1.67 111.16 -170.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.505 HD13 HD11 ' A' ' 8' ' ' LEU . 26.4 mt -116.83 29.37 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.505 0.669 . . . . 1.42 109.717 -176.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.21 -34.24 44.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.48 -1.237 . . . . 0.78 113.311 -176.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -99.3 -10.99 21.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.739 0.304 . . . . 2.16 111.585 -173.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.596 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -91.02 -65.83 0.98 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.553 0.692 . . . . 0.66 110.5 -168.075 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -73.39 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 114.602 -1.181 . . . . 0.6 109.171 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.404 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -59.28 126.0 25.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 123.147 0.279 . . . . 1.61 110.586 -174.238 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 47.82 40.02 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.612 -0.722 . . . . 1.48 110.948 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.5 tp -61.01 -9.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.887 0.851 . . . . 0.56 111.063 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.471 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.7 mmmm -81.16 -7.98 59.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.145 -0.934 . . . . 1.11 110.333 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.444 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.8 t70 -95.46 132.33 40.65 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.912 -0.585 . . . . 1.59 110.235 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -22.71 65.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.918 -0.583 . . . . 0.92 109.943 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.26 -32.55 72.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.742 0.782 . . . . 0.67 109.125 175.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.476 ' O ' HD13 ' B' ' 57' ' ' ILE . 21.5 t -80.62 -46.73 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.684 -1.143 . . . . 0.6 109.647 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' B' ' 34' ' ' LYS . 47.7 mt -57.88 -36.4 55.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.685 -0.689 . . . . 0.42 110.852 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.8 -52.88 61.45 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.438 -0.801 . . . . 1.53 109.134 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -47.73 -47.51 30.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.329 -0.85 . . . . 1.77 111.492 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.608 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -65.33 -59.09 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.95 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 27.3 t80 -59.6 -44.78 93.28 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.072 0.463 . . . . 1.67 110.557 -172.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.02 -26.4 68.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.331 -0.849 . . . . 1.91 110.217 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -26.71 63.56 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.957 -0.64 . . . . 0.53 112.192 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' B' ' 73' ' ' GLU . 1.1 mt -87.61 -46.68 9.33 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.948 -0.76 . . . . 0.59 108.948 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.25 74.14 1.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.637 -1.165 . . . . 1.4 110.547 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.16 -21.49 63.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.146 -0.934 . . . . 1.31 110.679 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -73.0 -19.82 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 2.8 110.288 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 61.78 38.34 14.96 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 114.985 -1.007 . . . . 2.72 111.82 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -117.83 7.62 12.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.341 0.591 . . . . 2.14 110.161 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 68.33 44.12 1.39 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.055 -0.975 . . . . 2.01 110.829 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -137.06 118.13 14.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.806 0.336 . . . . 2.16 110.821 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.61 109.0 20.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.267 0.556 . . . . 1.81 111.168 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.627 ' HB2' ' OE1' ' B' ' 73' ' ' GLU . 4.9 m-20 -81.95 179.14 7.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.846 -0.533 . . . . 2.02 109.827 172.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -60.33 -32.51 71.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.671 -0.412 . . . . 2.18 110.378 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.457 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.4 tt0 -70.24 -42.9 71.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 1.67 110.97 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' B' ' 61' ' ' LEU . 3.3 mp0 -63.6 -41.54 98.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.329 0.585 . . . . 1.99 109.527 175.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.531 ' O ' HG23 ' B' ' 78' ' ' VAL . 79.2 t80 -65.67 -28.67 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.529 -0.759 . . . . 1.92 110.199 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.526 HG12 ' HB2' ' A' ' 82' ' ' LEU . 1.3 mt -65.17 -39.15 84.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.473 -0.785 . . . . 0.67 109.361 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.557 ' O ' HD13 ' B' ' 80' ' ' ILE . 25.5 m -63.95 -40.59 96.77 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.792 -1.095 . . . . 0.74 109.664 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.508 HD23 ' CG2' ' B' ' 57' ' ' ILE . 1.4 tm? -57.12 -45.97 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.14 110.329 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.663 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.0 t -62.83 -33.41 60.1 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.884 -0.413 . . . . 0.33 109.884 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.52 -48.04 81.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.257 0.551 . . . . 0.43 110.132 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.557 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.23 -43.9 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.371 -0.831 . . . . 0.4 110.287 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.598 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -73.82 -30.2 62.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.216 -0.902 . . . . 0.28 111.918 -174.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 47.6 mt -64.54 -42.8 95.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.575 -0.528 . . . . 0.33 109.575 173.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.0 OUTLIER -61.06 -46.71 89.56 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.665 -0.698 . . . . 1.67 109.537 173.314 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.45 -22.24 53.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.988 -0.551 . . . . 0.48 111.995 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -81.16 -59.64 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.378 0.51 . . . . 0.57 112.378 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.515 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 78.4 t60 -86.52 -36.32 19.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.417 0.627 . . . . 2.68 111.349 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.557 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.7 t80 -86.03 23.57 1.47 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.45 -0.795 . . . . 1.8 108.989 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.624 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 16.7 t-80 -46.78 19.31 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 126.682 1.993 . . . . 3.27 115.208 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.557 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.6 t -94.06 21.29 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.807 -0.812 . . . . 1.27 108.807 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' B' ' 89' ' ' THR . 16.5 m170 79.93 88.93 0.05 Allowed 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 113.877 -1.51 . . . . 3.47 108.88 -175.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.448 ' HG3' ' HB3' ' B' ' 83' ' ' LYS . 2.5 ttpp -52.18 -15.13 0.52 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.316 -1.311 . . . . 3.47 111.371 173.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 . . . . . 0 C--O 1.248 1.014 0 C-N-CA 123.438 0.695 . . . . 7.08 110.214 178.654 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.746 0.308 . . . . 6.42 110.243 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 m -142.81 -49.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.915 -0.314 . . . . 4.25 111.394 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -78.51 -4.89 50.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.439 . . . . 6.05 111.2 -173.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' C ' ' H ' ' A' ' 6' ' ' GLU . 30.9 tp -84.96 151.21 24.38 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.341 -0.615 . . . . 4.5 109.341 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.3 pm0 -73.58 32.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.315 0.579 . . . . 3.1 111.37 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 4' ' ' LEU . 9.0 tp10 -65.63 -18.37 65.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.343 -0.844 . . . . 2.51 109.647 176.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.57 ' O ' HG13 ' A' ' 11' ' ' ILE . 55.7 m-70 -62.82 -57.86 9.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.805 -0.813 . . . . 2.16 108.805 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.678 HD13 ' HB1' ' B' ' 81' ' ' ALA . 31.1 mt -74.54 -56.05 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.843 -1.072 . . . . 0.34 111.256 -175.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.03 -21.99 66.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 2.41 110.612 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.5 -40.67 53.7 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.86 -0.686 . . . . 0.44 111.757 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 7' ' ' HIS . 76.2 mt -69.1 -37.98 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.497 0.665 . . . . 1.16 110.028 177.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' B' ' 85' ' ' ALA . 74.2 t -66.91 -35.68 75.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.541 -0.754 . . . . 0.57 110.607 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.68 -40.83 69.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 1.42 111.284 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 11' ' ' ILE . 33.6 pt -66.77 -29.1 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.265 -0.574 . . . . 2.06 110.497 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.53 -35.36 78.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.222 -0.659 . . . . 2.57 109.222 174.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -66.98 -21.42 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.636 -0.711 . . . . 2.23 110.773 174.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -80.66 -53.75 6.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.415 -0.357 . . . . 2.77 111.299 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -83.1 -34.29 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.511 0.56 . . . . 6.25 112.511 -171.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.1 t -80.71 -73.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.321 . . . . 3.01 110.839 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.413 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 10.9 m -120.51 -131.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.459 -0.337 . . . . 4.13 110.922 -176.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' H ' ' HB ' ' A' ' 20' ' ' VAL . 61.8 mtt180 -118.56 -156.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.097 -0.705 . . . . 7.28 109.097 175.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -80.51 48.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.308 0.575 . . . . 8.7 110.835 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.14 176.16 34.12 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.847 -0.615 . . . . 5.67 111.85 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -92.45 -27.14 17.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.912 0.356 . . . . 8.27 111.076 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 75.5 m-85 -131.42 -163.04 1.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.522 -0.308 . . . . 7.5 110.613 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 49.9 m-20 78.18 130.78 0.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.251 0.969 . . . . 5.62 111.822 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.504 HG21 ' HA ' ' A' ' 70' ' ' ASP . 8.9 t -179.74 148.1 0.31 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.928 -1.033 . . . . 3.94 108.909 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB2' ' OE1' ' A' ' 32' ' ' GLU . 90.8 mt -125.54 -138.34 0.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.635 0.606 . . . . 2.91 112.635 -171.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -94.74 -170.89 2.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.367 0.877 . . . . 1.35 113.367 -166.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 10.5 ttmm -47.41 -37.97 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.793 1.035 . . . . 1.32 113.793 -172.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.29 -57.77 4.82 Favored Glycine 0 N--CA 1.465 0.615 0 N-CA-C 114.975 0.75 . . . . 0.4 114.975 -172.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE1' ' HB2' ' A' ' 28' ' ' LEU . 2.8 pt-20 -65.14 -36.23 83.6 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.461 0.541 . . . . 2.44 112.461 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.571 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 18.1 tp -66.02 -45.03 82.99 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.783 -0.821 . . . . 0.52 108.783 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HA ' HD13 ' A' ' 54' ' ' ILE . 13.1 tmtt? -57.72 -44.85 86.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.662 -1.154 . . . . 1.87 110.449 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 36.5 tt0 -55.03 -59.02 5.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.978 -0.555 . . . . 2.46 110.171 174.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 9.8 tt -49.6 -60.46 2.84 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.943 -0.571 . . . . 0.45 110.206 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.1 mt -53.24 -47.62 68.89 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 113.319 0.859 . . . . 0.45 113.319 -173.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 49' ' ' LYS . 21.1 p -66.6 -38.18 86.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.05 0.389 . . . . 1.23 112.05 -173.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.3 ptmt -97.73 -22.9 16.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.422 0.897 . . . . 1.61 113.422 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 42.0 tp10 -102.93 -35.49 8.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.84 0.352 . . . . 1.67 111.033 -170.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD22 ' CD1' ' B' ' 8' ' ' LEU . 35.1 mt -120.0 30.25 7.11 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.574 0.702 . . . . 1.42 109.396 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.06 -36.37 50.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.387 -1.279 . . . . 0.78 113.44 -174.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -118.61 33.91 5.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.443 0.64 . . . . 2.16 110.626 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.541 HG21 HD12 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -113.58 -61.65 1.71 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.747 0.784 . . . . 0.66 109.581 175.353 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.562 HG21 HD11 ' A' ' 57' ' ' ILE . 23.4 mt -85.72 137.54 20.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.492 -1.231 . . . . 0.6 109.73 -175.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.31 126.08 23.48 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.545 0.212 . . . . 1.61 110.44 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.492 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 43.26 44.33 4.52 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.506 -0.77 . . . . 1.48 112.187 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.561 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -62.01 -6.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.924 0.868 . . . . 0.55 110.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.7 OUTLIER -84.53 -10.64 57.25 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.201 -0.909 . . . . 1.11 110.173 179.575 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.1 m-20 -90.85 128.7 36.83 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.615 -0.72 . . . . 1.58 111.206 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.05 -29.58 70.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.929 -1.032 . . . . 0.92 110.226 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.37 -36.69 83.52 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.581 -0.736 . . . . 0.67 109.165 177.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 32.1 t -74.71 -43.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.523 -1.217 . . . . 0.6 109.673 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 50' ' ' ASP . 29.3 mt -65.2 -36.7 78.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 114.911 -1.04 . . . . 0.42 110.873 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 34.3 t70 -64.32 -49.89 69.97 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.557 -0.747 . . . . 1.53 109.333 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.4 mm-40 -47.3 -47.13 25.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.882 -1.054 . . . . 1.77 111.048 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.562 HD11 HG21 ' A' ' 45' ' ' ILE . 86.8 mt -70.09 -53.87 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.397 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 17.2 t80 -55.39 -47.65 75.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.68 110.235 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 60.5 mm-40 -60.93 -31.05 70.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 1.92 109.987 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.49 -25.6 75.34 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.737 -0.665 . . . . 0.53 112.287 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -88.2 -50.43 6.37 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.727 -0.842 . . . . 0.58 108.727 177.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.56 73.92 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.625 -1.17 . . . . 1.4 110.83 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.03 -16.67 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.464 -0.789 . . . . 1.3 109.582 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -73.54 -18.69 61.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.989 -1.005 . . . . 2.8 110.298 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 61.42 37.96 16.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.754 -1.112 . . . . 2.72 111.444 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -109.92 -3.04 16.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.54 0.686 . . . . 2.13 109.893 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 61.64 47.38 6.45 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.721 -1.127 . . . . 2.02 110.133 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 68' ' ' GLN . 9.7 pt20 -142.82 118.73 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.671 -0.695 . . . . 2.16 110.084 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.06 106.52 12.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.39 0.614 . . . . 1.81 110.404 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.512 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 4.9 m-20 -77.64 174.52 10.83 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.318 -0.623 . . . . 2.02 109.318 172.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -62.65 -32.22 73.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.386 -0.526 . . . . 2.17 110.012 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.519 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.3 tt0 -69.92 -40.9 75.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 1.66 110.895 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 70' ' ' ASP . 3.9 mm-40 -68.85 -33.95 74.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.563 0.697 . . . . 1.99 109.343 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 78' ' ' VAL . 70.9 t80 -69.8 -24.08 63.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.542 -0.754 . . . . 1.92 109.933 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.569 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.2 mt -67.86 -42.17 85.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.751 -0.659 . . . . 0.67 109.679 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.3 -28.61 66.41 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.105 -0.498 . . . . 0.74 110.394 174.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.539 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.1 tm? -58.74 -45.63 89.25 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.724 -0.472 . . . . 1.15 109.724 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.0 t -66.28 -32.0 56.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.927 -0.579 . . . . 0.33 110.073 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.52 98.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.394 0.616 . . . . 0.43 109.912 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.87 -45.59 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.119 -0.946 . . . . 0.4 110.237 174.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.63 -22.91 50.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 0.28 112.31 -173.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 62.6 mt -67.7 -39.94 84.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.336 0.589 . . . . 0.33 109.594 173.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 9.4 mttt -75.53 -19.85 59.08 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.764 -0.653 . . . . 1.67 110.541 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -68.9 -24.88 64.36 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.864 -0.421 . . . . 0.48 109.864 169.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.44 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -84.18 -55.13 4.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 0.57 111.391 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -75.78 -56.12 4.98 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.16 0.505 . . . . 2.68 111.313 -178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.518 ' HB2' ' HG2' ' A' ' 83' ' ' LYS . 2.7 t80 -83.51 22.32 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 1.8 109.956 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -45.87 -2.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.007 1.323 . . . . 3.26 113.806 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 87' ' ' TYR . 8.6 t -69.89 -30.04 67.39 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.512 -0.922 . . . . 1.26 108.512 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 156.41 80.59 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.37 1.468 . . . . 3.47 108.449 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -60.25 -33.92 72.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.587 -0.894 . . . . 3.47 108.587 175.655 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.467 ' OXT' ' HG2' ' A' ' 46' ' ' LYS . 13.6 tp10 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 114.983 -1.008 . . . . 7.09 109.039 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.663 0.268 . . . . 6.42 110.366 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.7 m -142.51 -49.15 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 121.147 -0.221 . . . . 4.26 111.436 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -78.43 -4.88 50.56 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.207 0.527 . . . . 6.04 111.178 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' B' ' 6' ' ' GLU . 30.8 tp -84.9 151.04 24.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.818 -0.628 . . . . 4.5 109.434 175.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' B' ' 5' ' ' GLU . 2.3 pm0 -73.73 32.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.333 0.587 . . . . 3.1 111.172 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' B' ' 4' ' ' LEU . 8.7 tp10 -65.7 -18.28 65.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.312 -0.858 . . . . 2.51 109.671 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.554 ' O ' HG13 ' B' ' 11' ' ' ILE . 55.9 m-70 -62.91 -57.9 9.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.817 -0.808 . . . . 2.16 108.817 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.666 HD13 ' HB1' ' A' ' 81' ' ' ALA . 31.0 mt -74.34 -56.09 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.8 -1.091 . . . . 0.34 111.222 -175.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.1 -22.18 66.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.858 0.361 . . . . 2.41 110.629 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.24 -40.75 55.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.987 -0.625 . . . . 0.44 111.764 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 7' ' ' HIS . 76.3 mt -69.25 -38.07 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.472 0.653 . . . . 1.16 109.992 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.44 HG21 ' HB3' ' A' ' 85' ' ' ALA . 73.6 t -66.7 -35.92 75.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.693 -0.685 . . . . 0.57 110.575 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -71.62 -40.79 69.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 1.42 111.267 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 pt -66.88 -28.94 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.217 -0.593 . . . . 2.06 110.516 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.6 -35.29 78.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.185 -0.672 . . . . 2.58 109.185 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -67.07 -21.38 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.642 -0.708 . . . . 2.23 110.722 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -80.73 -53.38 6.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.383 -0.371 . . . . 2.77 111.307 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -83.47 -34.45 25.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.489 0.552 . . . . 6.25 112.489 -172.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -80.22 -73.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.418 . . . . 3.02 110.963 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 m -120.46 -131.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.235 -0.439 . . . . 4.12 110.971 -176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -118.79 -156.91 0.67 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.052 -0.721 . . . . 7.28 109.052 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -80.2 48.31 0.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.056 0.455 . . . . 8.71 110.927 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.6 176.02 33.39 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.66 -0.576 . . . . 5.68 111.66 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -92.12 -27.01 18.01 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.986 0.393 . . . . 8.27 111.178 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' B' ' 26' ' ' ASP . 75.9 m-85 -131.24 -162.53 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.586 -0.279 . . . . 7.5 110.647 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' B' ' 25' ' ' PHE . 49.0 m-20 77.51 130.78 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 124.201 0.938 . . . . 5.62 111.811 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.487 HG21 ' HA ' ' B' ' 70' ' ' ASP . 8.9 t -179.26 148.65 0.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.888 -1.051 . . . . 3.95 108.765 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' OE1' ' B' ' 32' ' ' GLU . 91.1 mt -125.78 -137.92 0.27 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.587 0.588 . . . . 2.91 112.587 -171.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.9 m -95.35 -171.31 2.36 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.218 0.821 . . . . 1.35 113.218 -166.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.501 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 10.5 ttmm -47.05 -38.06 10.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.744 1.016 . . . . 1.32 113.744 -172.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.67 4.78 Favored Glycine 0 N--CA 1.466 0.648 0 N-CA-C 114.877 0.711 . . . . 0.4 114.877 -172.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.486 ' OE1' ' HB2' ' B' ' 28' ' ' LEU . 2.7 pt-20 -65.36 -36.35 83.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.493 0.553 . . . . 2.43 112.493 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.57 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 18.0 tp -65.76 -45.22 83.37 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.817 -0.808 . . . . 0.52 108.817 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.401 ' HG2' ' CD1' ' B' ' 54' ' ' ILE . 13.1 tmtt? -57.59 -44.63 85.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.654 -1.157 . . . . 1.87 110.578 178.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 36.2 tt0 -55.23 -59.09 5.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.018 -0.537 . . . . 2.45 110.105 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' B' ' 40' ' ' GLU . 9.8 tt -49.39 -60.65 2.65 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 123.656 0.598 . . . . 0.45 110.17 178.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.2 mt -53.06 -47.72 68.23 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 113.389 0.885 . . . . 0.45 113.389 -173.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.45 HG22 ' HA ' ' B' ' 49' ' ' LYS . 20.2 p -66.58 -38.32 86.8 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 1.23 112.062 -173.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.2 ptmt -97.52 -23.19 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.295 0.85 . . . . 1.62 113.295 -176.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' B' ' 36' ' ' LEU . 41.4 tp10 -102.6 -35.42 8.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.736 0.303 . . . . 1.67 111.04 -170.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 8' ' ' LEU . 35.4 mt -120.1 30.32 7.06 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.495 0.665 . . . . 1.42 109.4 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.32 -35.86 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.376 -1.284 . . . . 0.78 113.544 -174.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -118.92 34.11 5.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.392 0.615 . . . . 2.16 110.597 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.527 HG21 HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -113.75 -61.83 1.68 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.728 0.775 . . . . 0.66 109.628 175.294 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 23.6 mt -85.71 137.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.408 -1.269 . . . . 0.6 109.773 -175.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.484 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -55.2 126.29 24.2 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.129 0.268 . . . . 1.61 110.484 -178.702 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.484 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.7 m-20 42.88 44.55 3.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 124.028 0.83 . . . . 1.48 112.22 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -62.13 -6.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.922 0.868 . . . . 0.56 110.84 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.45 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.29 -10.82 57.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.148 -0.933 . . . . 1.11 110.136 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.492 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.1 m-20 -90.9 128.81 36.9 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.684 -0.689 . . . . 1.59 111.104 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.14 -29.48 70.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.982 -1.008 . . . . 0.92 110.135 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.72 -36.15 81.79 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.592 -0.731 . . . . 0.67 109.209 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.408 HG11 ' O ' ' B' ' 46' ' ' LYS . 32.0 t -75.14 -43.54 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.54 -1.209 . . . . 0.6 109.652 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 50' ' ' ASP . 29.9 mt -65.42 -36.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 0.42 110.861 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 35.9 t70 -64.42 -49.84 69.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.601 -0.727 . . . . 1.53 109.347 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 15.9 mm-40 -47.54 -46.78 28.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.919 -1.037 . . . . 1.77 111.114 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.555 HD11 HG21 ' B' ' 45' ' ' ILE . 86.6 mt -70.37 -53.72 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.378 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 16.9 t80 -55.6 -47.34 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 1.67 110.283 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 60.5 mm-40 -61.09 -31.21 70.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 1.91 109.927 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.06 -26.21 74.85 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.627 -0.715 . . . . 0.53 112.159 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.6 OUTLIER -87.8 -50.8 6.23 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.744 -0.836 . . . . 0.59 108.744 177.853 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.46 74.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.7 -1.136 . . . . 1.4 110.82 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.32 -16.56 59.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.474 -0.785 . . . . 1.31 109.513 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.42 -18.45 61.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.985 -1.007 . . . . 2.8 110.3 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 60.84 38.7 17.75 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.787 -1.097 . . . . 2.72 111.446 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -110.52 -2.91 16.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.447 0.642 . . . . 2.14 109.938 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 61.22 47.56 6.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 114.716 -1.129 . . . . 2.01 110.236 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 9.7 pt20 -142.94 118.63 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.617 -0.72 . . . . 2.16 110.136 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.27 106.53 12.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.551 0.691 . . . . 1.81 110.504 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' B' ' 73' ' ' GLU . 5.3 m-20 -77.61 174.46 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.248 -0.649 . . . . 2.02 109.248 172.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -62.74 -32.3 73.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.446 -0.501 . . . . 2.18 110.007 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.5 tt0 -69.62 -41.08 76.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.574 . . . . 1.67 111.104 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' B' ' 70' ' ' ASP . 3.9 mm-40 -68.86 -33.78 74.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.642 0.734 . . . . 1.99 109.372 177.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.5 t80 -69.76 -24.1 63.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.644 -0.707 . . . . 1.92 110.043 174.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.2 mt -67.94 -42.02 85.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 0.67 109.681 176.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.626 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.1 p -69.28 -28.68 66.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.151 -0.477 . . . . 0.74 110.345 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.543 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.1 tm? -58.86 -45.52 89.93 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.719 -0.474 . . . . 1.14 109.719 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.555 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 40.1 t -66.16 -32.37 57.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.966 -0.561 . . . . 0.33 110.03 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.68 98.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.499 0.666 . . . . 0.43 109.977 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.69 -45.62 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.119 -0.946 . . . . 0.4 110.22 174.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.678 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.84 -22.7 49.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.568 -0.742 . . . . 0.28 112.353 -173.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 63.5 mt -67.89 -39.87 83.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 0.33 109.624 173.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 9.3 mttt -75.47 -19.93 59.11 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.705 -0.68 . . . . 1.67 110.429 174.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -69.02 -24.78 64.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.021 0.438 . . . . 0.48 109.834 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -84.16 -55.2 4.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.57 111.305 175.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -75.84 -55.92 5.17 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.298 0.571 . . . . 2.68 111.314 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.505 ' HB2' ' HG2' ' B' ' 83' ' ' LYS . 2.7 t80 -83.59 22.34 1.09 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.64 -0.709 . . . . 1.8 109.905 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -45.76 -3.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.0 1.32 . . . . 3.27 113.779 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.497 ' H ' ' C ' ' B' ' 87' ' ' TYR . 8.7 t -69.98 -29.82 67.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.619 -0.882 . . . . 1.27 108.619 177.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 156.01 80.31 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 125.427 1.491 . . . . 3.47 108.568 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -60.1 -33.64 72.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.592 -0.892 . . . . 3.47 108.592 175.484 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.483 ' OXT' ' HG2' ' B' ' 46' ' ' LYS . 14.2 tp10 . . . . . 0 C--O 1.243 0.755 0 CA-C-N 115.0 -1.0 . . . . 7.08 109.154 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.892 -0.411 . . . . 6.42 109.892 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -67.76 129.08 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.584 -0.525 . . . . 4.25 109.584 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.636 ' HB3' ' O ' ' B' ' 40' ' ' GLU . 63.9 mttp -85.79 -16.83 37.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.926 0.393 . . . . 6.05 111.045 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt 67.38 12.48 8.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.646 . . . . 4.5 111.567 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -72.2 -8.39 54.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.441 0.639 . . . . 3.1 109.772 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.89 -20.35 56.75 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.037 -0.983 . . . . 2.51 110.218 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.474 ' O ' HG13 ' A' ' 11' ' ' ILE . 79.4 m80 -72.81 -43.07 63.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.851 -0.425 . . . . 2.16 109.851 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.86 HD13 ' HB1' ' B' ' 81' ' ' ALA . 83.9 mt -68.41 -60.78 2.19 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.93 0.395 . . . . 0.34 110.753 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.16 -22.64 66.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 2.41 110.65 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.616 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -71.73 -38.27 61.05 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.638 -0.71 . . . . 0.44 112.181 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' HIS . 71.9 mt -66.8 -38.68 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.075 -0.713 . . . . 1.16 109.075 174.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.94 -33.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.915 -1.039 . . . . 0.57 110.22 172.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.28 -34.89 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 1.42 111.074 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 10' ' ' GLY . 22.8 mt -68.11 -38.71 80.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.235 0.54 . . . . 2.06 109.551 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 8.4 t80 -59.03 -47.64 84.48 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.724 -0.843 . . . . 2.57 108.724 171.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.13 -23.84 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.774 -1.103 . . . . 2.23 110.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -70.48 -60.54 2.21 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.441 -0.345 . . . . 2.77 110.622 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 15' ' ' PHE . 29.9 p90 -73.29 -4.28 32.26 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.826 -0.75 . . . . 6.25 111.23 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -85.67 13.43 7.1 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.336 0.589 . . . . 3.01 109.553 172.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t 60.78 33.5 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.915 0.865 . . . . 4.13 110.675 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 57.4 33.92 23.95 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.845 -1.071 . . . . 7.28 113.33 172.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -156.39 -67.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.84 -0.344 . . . . 8.7 111.016 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.2 -123.65 0.86 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.35 -0.929 . . . . 5.67 112.577 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.4 m80 61.45 38.1 16.16 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.114 0.483 . . . . 8.27 110.28 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.526 ' HA ' HD13 ' A' ' 28' ' ' LEU . 8.9 p90 -81.85 56.7 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 7.5 111.022 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.94 -44.99 4.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.617 -0.72 . . . . 5.62 110.606 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 m -87.33 -80.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 3.94 110.357 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.526 HD13 ' HA ' ' A' ' 25' ' ' PHE . 10.1 mp 45.08 58.24 4.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.509 0.671 . . . . 2.91 111.361 178.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -81.15 -170.52 2.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.522 -0.763 . . . . 1.35 111.441 -176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HD2' ' CE ' ' A' ' 51' ' ' LYS . 16.7 ttmt -54.24 -31.96 54.72 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.559 -0.291 . . . . 1.32 111.729 -172.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.567 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -57.7 -45.03 93.81 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.198 -0.525 . . . . 0.4 113.148 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 23.8 mm-40 -67.92 -44.03 77.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.399 0.619 . . . . 2.44 110.155 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.1 tp -64.43 -43.02 95.63 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.101 -0.954 . . . . 0.52 110.004 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 1.5 pptp? -64.73 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 1.87 110.329 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.714 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 38.5 mt-30 -61.55 -63.78 1.16 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.468 -0.567 . . . . 2.46 109.468 172.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' CD1' HG22 ' A' ' 14' ' ' ILE . 9.9 tt -48.77 -48.25 41.12 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.91 0.756 . . . . 0.45 110.745 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.2 mt -63.77 -53.37 52.08 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.097 0.777 . . . . 0.45 113.097 -174.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 49' ' ' LYS . 36.3 p -66.28 -32.56 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.951 0.352 . . . . 1.23 111.951 -173.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.9 ptmm? -96.29 -35.54 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 1.61 112.673 -175.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.64 ' O ' ' HB3' ' B' ' 3' ' ' LYS . 10.4 mm-40 -95.79 -43.56 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.125 0.488 . . . . 1.67 110.907 -171.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD22 HD11 ' B' ' 8' ' ' LEU . 13.6 mt -105.41 26.56 9.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 1.42 109.659 -174.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.76 -38.87 23.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 114.528 -1.214 . . . . 0.78 113.411 -175.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -115.23 18.83 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.495 -0.482 . . . . 2.16 111.326 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.414 HG21 ' CD1' ' B' ' 8' ' ' LEU . 1.6 m -103.2 -54.23 2.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.434 0.635 . . . . 0.66 110.1 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 57' ' ' ILE . 54.0 mt -92.11 143.85 10.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.185 -0.916 . . . . 0.6 109.814 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -60.68 123.78 18.46 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.183 -0.302 . . . . 1.61 110.183 -176.312 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.488 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 42.85 45.06 4.14 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.518 -0.765 . . . . 1.48 111.859 177.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.0 tp -60.6 -4.99 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 0.55 111.257 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.517 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.1 OUTLIER -82.95 -16.93 45.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.194 -0.912 . . . . 1.11 110.084 -179.458 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' HG13 ' A' ' 54' ' ' ILE . 7.3 m-20 -84.83 128.52 34.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.335 -0.848 . . . . 1.58 111.366 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.546 ' CE ' ' HD2' ' A' ' 30' ' ' LYS . 23.0 tptm -63.48 -25.55 68.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.162 -0.926 . . . . 0.92 110.247 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.7 -37.32 73.57 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.409 0.623 . . . . 0.67 109.322 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG22 ' HE3' ' A' ' 46' ' ' LYS . 26.2 t -71.82 -43.24 69.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.823 -1.08 . . . . 0.6 109.077 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 34' ' ' LYS . 54.0 mt -64.57 -35.84 75.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 114.719 -1.128 . . . . 0.42 111.356 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.6 t70 -63.84 -51.65 63.7 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.902 -0.777 . . . . 1.53 108.902 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.9 mm-40 -48.87 -44.31 39.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.613 -1.176 . . . . 1.77 111.345 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 72.7 mt -70.99 -57.65 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.412 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 80.2 t80 -52.93 -47.15 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 1.68 110.788 -178.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 83.4 mm-40 -66.79 -26.88 67.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.5 -0.773 . . . . 1.92 110.454 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.68 -32.07 54.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.014 -0.613 . . . . 0.53 112.701 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -82.67 -40.23 20.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.19 -0.671 . . . . 0.58 109.19 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -76.24 73.01 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.199 -0.91 . . . . 1.4 110.746 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.21 62.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.218 -0.901 . . . . 1.3 109.891 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -20.21 56.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.038 -0.983 . . . . 2.8 110.295 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.35 35.55 20.61 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.852 -1.067 . . . . 2.72 110.863 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -119.72 8.58 11.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 2.13 111.231 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 40.7 tt0 64.9 49.11 2.21 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.424 0.631 . . . . 2.02 110.41 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.37 119.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.137 0.494 . . . . 2.16 111.824 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -88.63 107.45 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.06 -0.518 . . . . 1.81 110.631 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.506 ' H ' ' CG ' ' A' ' 73' ' ' GLU . 6.3 t70 -94.71 -173.61 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.145 -1.057 . . . . 2.02 108.145 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -61.75 -42.49 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.196 0.453 . . . . 2.17 111.592 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -70.79 -40.91 72.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.355 0.598 . . . . 1.66 110.383 -178.109 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.6 mm-40 -60.99 -39.59 90.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.475 -0.935 . . . . 1.99 108.475 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 78' ' ' VAL . 63.3 t80 -67.72 -28.58 67.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.42 -0.809 . . . . 1.92 110.58 175.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.571 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.8 OUTLIER -65.85 -37.2 79.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.623 -0.717 . . . . 0.67 109.235 176.109 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' HD13 ' A' ' 80' ' ' ILE . 29.1 m -63.0 -39.89 96.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.361 -0.836 . . . . 0.74 109.304 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD23 HG21 ' A' ' 57' ' ' ILE . 1.9 tm? -58.89 -43.36 90.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 1.15 110.158 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -66.16 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.935 -0.394 . . . . 0.33 109.935 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.89 -50.42 73.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.264 0.554 . . . . 0.43 109.78 173.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -41.05 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.154 -0.93 . . . . 0.4 110.477 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.843 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -72.29 -42.52 65.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.368 -0.833 . . . . 0.28 112.361 -174.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 83.5 mt -68.34 -39.07 82.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.105 0.479 . . . . 0.33 109.844 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.1 OUTLIER -56.24 -56.22 23.63 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.353 -0.84 . . . . 1.67 109.64 172.245 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -63.29 -20.87 65.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.25 0.463 . . . . 0.48 112.25 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -69.98 -60.37 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.723 0.268 . . . . 0.57 111.723 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.438 ' C ' ' H ' ' A' ' 88' ' ' HIS . 42.9 t-80 -86.39 -39.18 16.65 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.431 0.634 . . . . 2.68 110.964 -178.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.493 ' C ' ' H ' ' A' ' 89' ' ' THR . 15.3 t80 -84.13 23.25 1.08 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.885 0.874 . . . . 1.8 109.164 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 46.0 t60 -49.79 19.47 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.261 1.824 . . . . 3.26 115.291 -176.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 87' ' ' TYR . 2.1 t -66.39 -35.09 79.45 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.13 -1.063 . . . . 1.26 108.13 172.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 167.97 -29.45 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.448 -1.251 . . . . 3.47 109.3 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HE2' HG23 ' A' ' 80' ' ' ILE . 9.8 ttpp 71.22 -52.76 0.68 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.168 -0.924 . . . . 3.47 109.535 -174.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 . . . . . 0 C--O 1.246 0.9 0 CA-C-N 115.262 -0.881 . . . . 7.09 110.102 -177.747 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.863 -0.421 . . . . 6.42 109.863 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t -68.46 129.38 39.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.475 -0.565 . . . . 4.26 109.475 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.64 ' HB3' ' O ' ' A' ' 40' ' ' GLU . 64.0 mttp -86.15 -16.96 36.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.024 0.44 . . . . 6.04 110.967 -176.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt 67.54 12.38 8.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.687 -0.688 . . . . 4.5 111.569 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -72.03 -8.29 53.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.477 0.656 . . . . 3.1 109.953 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.88 -20.57 57.94 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.977 -1.01 . . . . 2.51 110.166 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.478 ' O ' HG13 ' B' ' 11' ' ' ILE . 79.2 m80 -72.73 -43.05 63.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.823 -0.436 . . . . 2.16 109.823 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.843 HD13 ' HB1' ' A' ' 81' ' ' ALA . 83.1 mt -68.36 -60.81 2.18 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.34 110.868 177.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.21 -22.55 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.94 -0.573 . . . . 2.41 110.536 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.618 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -71.68 -38.41 61.22 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.44 112.224 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' ' 7' ' ' HIS . 72.0 mt -66.79 -38.68 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.04 -0.726 . . . . 1.16 109.04 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.95 -33.54 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.976 -1.011 . . . . 0.57 110.182 172.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -71.29 -34.79 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 1.42 110.97 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 10' ' ' GLY . 23.1 mt -68.15 -38.7 80.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 109.574 -0.528 . . . . 2.06 109.574 177.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.534 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 8.1 t80 -59.09 -47.81 83.91 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.654 -0.869 . . . . 2.58 108.654 171.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -58.92 -23.86 61.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.852 -1.067 . . . . 2.23 110.884 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -70.39 -60.54 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 2.77 110.599 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' B' ' 15' ' ' PHE . 29.9 p90 -73.33 -4.58 34.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 119.896 -0.722 . . . . 6.25 111.219 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 24.9 t -85.46 13.73 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.447 0.641 . . . . 3.02 109.621 172.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 t 60.41 33.84 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.326 -0.852 . . . . 4.12 110.698 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 57.22 34.05 24.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.768 -1.105 . . . . 7.28 113.232 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -156.85 -67.0 0.1 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.735 -0.386 . . . . 8.71 111.195 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.91 -123.45 0.86 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.188 -1.006 . . . . 5.68 112.517 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 42.4 m80 60.55 38.69 18.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.191 0.52 . . . . 8.27 110.315 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.523 ' HA ' HD13 ' B' ' 28' ' ' LEU . 8.5 p90 -82.06 56.94 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.503 0.668 . . . . 7.5 110.832 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -107.21 -44.88 4.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.668 -0.696 . . . . 5.62 110.699 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -87.52 -80.64 0.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.431 -0.35 . . . . 3.95 110.157 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' B' ' 25' ' ' PHE . 10.1 mp 45.36 57.8 4.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.455 0.645 . . . . 2.91 111.455 177.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -81.12 -170.72 2.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.563 -0.744 . . . . 1.35 111.475 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.542 ' HD2' ' CE ' ' B' ' 51' ' ' LYS . 16.6 ttmt -53.83 -31.93 51.05 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 111.854 0.316 . . . . 1.32 111.854 -172.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.555 ' O ' ' HG3' ' B' ' 34' ' ' LYS . . . -58.06 -44.61 94.59 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 121.116 -0.564 . . . . 0.4 113.283 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -67.96 -44.09 77.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.371 0.605 . . . . 2.43 110.156 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.9 tp -64.41 -43.1 95.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.117 -0.947 . . . . 0.52 110.059 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' B' ' 31' ' ' GLY . 1.6 pptp? -64.68 -31.03 72.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.068 -0.514 . . . . 1.87 110.329 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.703 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 39.1 mt-30 -61.74 -63.65 1.19 Allowed 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.579 -0.526 . . . . 2.45 109.579 172.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.412 ' CD1' HG22 ' B' ' 14' ' ' ILE . 9.8 tt -48.92 -48.13 42.92 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 123.942 0.776 . . . . 0.45 110.735 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.0 mt -63.79 -53.3 53.0 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.113 0.783 . . . . 0.45 113.113 -174.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.516 HG22 ' HA ' ' B' ' 49' ' ' LYS . 36.7 p -66.12 -32.91 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.933 0.345 . . . . 1.23 111.933 -173.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.703 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.9 ptmm? -96.41 -35.13 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.789 0.663 . . . . 1.62 112.789 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.636 ' O ' ' HB3' ' A' ' 3' ' ' LYS . 10.2 mm-40 -95.81 -43.68 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.178 0.513 . . . . 1.67 110.92 -171.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 8' ' ' LEU . 13.6 mt -105.3 26.77 8.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.256 0.551 . . . . 1.42 109.695 -174.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.76 -39.52 25.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 114.621 -1.172 . . . . 0.78 113.308 -175.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -114.42 18.76 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.501 -0.48 . . . . 2.16 111.45 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.46 HG21 ' CD1' ' A' ' 8' ' ' LEU . 1.6 m -103.3 -54.32 2.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.48 0.657 . . . . 0.66 110.144 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.501 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.0 mt -92.06 144.04 10.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.088 -0.96 . . . . 0.6 109.788 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -60.95 123.89 18.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.193 -0.299 . . . . 1.61 110.193 -176.166 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.492 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 42.79 45.11 4.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.515 -0.766 . . . . 1.48 111.93 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' B' ' 42' ' ' ALA . 8.1 tp -60.57 -5.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.824 0.821 . . . . 0.56 111.265 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.516 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.1 OUTLIER -83.07 -16.79 45.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.224 -0.898 . . . . 1.11 109.992 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.43 ' O ' HG13 ' B' ' 54' ' ' ILE . 7.2 m-20 -84.78 128.42 34.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.312 -0.858 . . . . 1.59 111.383 -178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.542 ' CE ' ' HD2' ' B' ' 30' ' ' LYS . 23.0 tptm -63.47 -25.73 68.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.107 -0.951 . . . . 0.92 110.144 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.48 -37.57 74.25 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.488 0.661 . . . . 0.67 109.293 175.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.445 HG22 ' HE3' ' B' ' 46' ' ' LYS . 25.7 t -71.53 -43.22 72.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 114.87 -1.059 . . . . 0.6 109.163 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 50' ' ' ASP . 54.1 mt -64.63 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.639 -1.164 . . . . 0.42 111.302 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 13.7 t70 -63.92 -51.71 63.22 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.709 -0.848 . . . . 1.53 108.709 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 19.5 mm-40 -49.19 -43.93 42.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.622 -1.172 . . . . 1.77 111.387 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 73.1 mt -70.98 -57.78 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.458 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 80.1 t80 -52.77 -47.16 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.939 -0.573 . . . . 1.67 110.89 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 82.9 mm-40 -66.91 -26.79 67.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.468 -0.787 . . . . 1.91 110.48 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.34 -32.77 54.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 0.53 112.643 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.8 OUTLIER -82.22 -40.59 21.44 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.242 -0.651 . . . . 0.59 109.242 -179.441 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -75.99 73.07 2.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.11 -0.95 . . . . 1.4 110.716 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.97 -16.32 62.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.088 -0.96 . . . . 1.31 109.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.64 -20.53 56.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.14 -0.937 . . . . 2.8 110.143 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.9 35.45 19.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 114.978 -1.01 . . . . 2.72 110.788 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -119.56 8.5 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 2.14 111.43 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.407 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 40.9 tt0 64.91 49.22 2.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 2.01 110.419 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.53 119.76 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 2.16 111.884 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.59 107.5 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.084 -0.507 . . . . 1.81 110.672 170.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.512 ' H ' ' CG ' ' B' ' 73' ' ' GLU . 6.1 t70 -94.8 -173.51 3.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.171 -1.048 . . . . 2.02 108.171 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -61.74 -42.5 99.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.203 0.456 . . . . 2.18 111.659 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.436 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 0.9 OUTLIER -70.74 -40.88 72.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.405 0.621 . . . . 1.67 110.332 -178.094 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.6 mm-40 -61.05 -39.47 89.97 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.408 -0.96 . . . . 1.99 108.408 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.555 ' O ' HG23 ' B' ' 78' ' ' VAL . 63.1 t80 -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.372 -0.831 . . . . 1.92 110.501 176.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.8 OUTLIER -65.62 -37.61 80.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 0.67 109.174 176.049 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.55 ' O ' HD13 ' B' ' 80' ' ' ILE . 20.2 m -62.47 -40.17 95.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.345 -0.843 . . . . 0.74 109.184 174.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.551 HD23 HG21 ' B' ' 57' ' ' ILE . 1.9 tm? -58.99 -43.29 91.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 1.14 110.148 177.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.3 t -66.21 -31.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.002 -0.37 . . . . 0.33 110.002 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.87 -50.27 74.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.288 0.566 . . . . 0.43 109.791 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.55 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.72 -41.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.237 -0.892 . . . . 0.4 110.418 175.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.86 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -72.23 -42.48 65.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.275 -0.875 . . . . 0.28 112.421 -174.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 83.6 mt -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.236 0.541 . . . . 0.33 109.852 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -56.2 -56.26 23.08 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.291 -0.868 . . . . 1.67 109.628 172.21 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -63.24 -20.95 65.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.317 0.488 . . . . 0.48 112.317 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -69.8 -60.36 2.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.727 0.269 . . . . 0.57 111.727 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' B' ' 88' ' ' HIS . 42.4 t-80 -86.59 -38.85 16.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.23 0.538 . . . . 2.68 110.95 -178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.485 ' C ' ' H ' ' B' ' 89' ' ' THR . 15.2 t80 -84.55 23.6 1.11 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.809 0.844 . . . . 1.8 109.076 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 48.0 t60 -50.07 19.01 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.274 1.83 . . . . 3.27 115.259 -175.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.485 ' H ' ' C ' ' B' ' 87' ' ' TYR . 2.0 t -66.26 -34.9 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.084 -1.08 . . . . 1.27 108.084 173.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 168.08 -29.85 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 114.465 -1.243 . . . . 3.47 109.403 174.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.508 ' HE2' HG23 ' B' ' 80' ' ' ILE . 9.8 ttpp 71.63 -52.74 0.69 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.986 0.914 . . . . 3.47 109.558 -174.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 . . . . . 0 C--O 1.244 0.8 0 CA-C-N 115.068 -0.969 . . . . 7.08 109.988 -177.897 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.853 0.358 . . . . 6.42 110.69 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -156.25 51.52 0.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.872 0.844 . . . . 4.25 109.902 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -114.09 20.21 15.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.523 -0.762 . . . . 6.05 110.299 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.616 HD12 ' H ' ' A' ' 4' ' ' LEU . 8.0 mp -31.01 115.62 0.14 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.207 -1.361 . . . . 4.5 113.406 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.514 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.9 pt-20 49.47 14.07 0.1 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.369 1.468 . . . . 3.1 114.726 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -34.68 78.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.545 0.688 . . . . 2.51 109.747 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.499 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 26.9 m-70 -82.83 -39.67 21.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.595 -0.73 . . . . 2.16 111.577 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.785 HD13 ' HB1' ' B' ' 81' ' ' ALA . 79.0 mt -63.15 -61.01 2.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.373 0.606 . . . . 0.34 110.543 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.78 -25.53 65.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.169 -0.923 . . . . 2.41 109.896 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -70.46 -42.17 65.0 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.571 -0.74 . . . . 0.44 112.708 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 7' ' ' HIS . 62.9 mt -64.45 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 117.573 0.686 . . . . 1.16 109.253 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.85 -37.14 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.062 -0.972 . . . . 0.57 110.408 174.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.3 t30 -69.36 -41.73 76.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 1.42 110.657 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.95 -43.38 92.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.378 -0.374 . . . . 2.06 110.248 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.94 99.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.64 -0.504 . . . . 2.57 109.64 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 19' ' ' SER . 11.8 m-70 -58.17 -37.85 75.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.753 0.311 . . . . 2.23 111.021 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 16.0 mm100 -57.41 -52.21 66.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 2.77 111.278 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 95.7 m-85 -87.86 -23.88 23.85 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.4 0.519 . . . . 6.25 112.4 -178.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.49 ' O ' ' HA ' ' A' ' 16' ' ' HIS . 48.9 m -135.49 121.27 19.68 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.517 0.191 . . . . 3.01 111.517 -178.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m 40.68 79.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 113.993 1.108 . . . . 4.13 113.993 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -80.22 -18.36 49.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.048 0.451 . . . . 7.28 110.018 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -152.38 -52.4 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 8.7 110.181 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.8 117.04 0.75 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.643 -0.789 . . . . 5.67 112.418 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -162.06 75.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.382 -0.599 . . . . 8.27 109.382 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 69.55 -79.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.306 -0.861 . . . . 7.5 110.566 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -176.85 -71.85 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.261 -0.644 . . . . 5.62 109.261 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.758 HG21 ' HA ' ' A' ' 70' ' ' ASP . 4.1 p -153.32 126.17 8.34 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.184 -1.043 . . . . 3.94 108.184 176.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' HB3' ' H ' ' A' ' 29' ' ' SER . 68.5 mt -102.71 -166.89 1.33 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.289 0.566 . . . . 2.91 112.269 -171.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.403 ' H ' ' HB3' ' A' ' 28' ' ' LEU . 15.7 m -84.24 -170.52 3.13 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.287 0.847 . . . . 1.35 113.287 -168.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.532 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 8.6 ttpp -56.23 -20.02 16.43 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.092 -0.958 . . . . 1.32 113.26 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 34' ' ' LYS . . . -54.42 -55.36 27.21 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.36 -0.448 . . . . 0.4 114.024 -176.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 32' ' ' GLU . 4.2 pt-20 -74.08 -29.61 61.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.798 0.332 . . . . 2.44 111.509 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.7 tp -60.14 -52.79 63.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.962 -0.755 . . . . 0.52 108.962 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 29.0 ttmt -48.42 -48.37 37.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.591 -1.186 . . . . 1.87 110.954 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 45.8 mt-30 -55.74 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 2.46 110.667 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -49.64 -47.31 49.94 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.301 0.572 . . . . 0.45 110.556 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -63.85 -52.42 60.16 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.885 -0.598 . . . . 0.45 112.381 -175.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.5 p -64.34 -35.41 80.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.431 -0.35 . . . . 1.23 111.75 -174.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.8 ptmt -97.4 -26.67 14.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.385 0.883 . . . . 1.61 113.385 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 63.3 mm-40 -99.04 -41.83 7.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.18 0.514 . . . . 1.67 111.079 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.513 HD22 HD11 ' B' ' 8' ' ' LEU . 15.6 mt -107.97 24.59 12.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.291 0.567 . . . . 1.42 109.928 -174.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -46.29 -39.98 10.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.255 -1.339 . . . . 0.78 113.831 -176.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -117.83 28.6 8.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.276 0.56 . . . . 2.16 110.773 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.6 m -112.52 -60.69 1.83 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.46 0.647 . . . . 0.66 110.146 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.488 HG21 HD11 ' A' ' 57' ' ' ILE . 49.3 mt -86.3 138.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.032 -0.986 . . . . 0.6 109.54 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -54.96 123.06 12.29 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.657 0.265 . . . . 1.61 110.656 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.515 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.2 m120 44.94 44.9 8.38 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.236 -0.893 . . . . 1.48 111.745 177.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.8 tp -61.16 -10.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 0.55 110.875 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.7 mmmm -84.3 -10.87 57.27 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.27 -0.877 . . . . 1.11 110.215 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.9 m-20 -91.92 129.44 37.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.541 -0.754 . . . . 1.58 111.25 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.75 -31.21 71.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.553 -1.203 . . . . 0.92 111.132 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.08 78.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.169 -0.678 . . . . 0.67 109.169 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 57' ' ' ILE . 26.7 t -72.34 -47.32 53.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.708 -1.133 . . . . 0.6 109.682 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 50' ' ' ASP . 38.8 mt -60.49 -37.92 76.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.375 -0.829 . . . . 0.42 111.501 177.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.83 -54.87 36.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.323 -0.621 . . . . 1.53 109.323 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -46.49 -44.23 17.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.137 -0.938 . . . . 1.77 111.389 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.652 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 66.6 mt -70.59 -60.12 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.608 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CG ' ' HB2' ' A' ' 30' ' ' LYS . 83.4 t80 -55.47 -46.43 76.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.904 0.383 . . . . 1.68 110.955 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 59' ' ' GLN . 13.7 mm-40 -64.32 -25.11 67.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 1.92 110.504 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.78 -29.72 46.48 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.827 -0.701 . . . . 0.53 112.777 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 2.9 mt -84.95 -39.65 17.89 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.115 0.458 . . . . 0.58 110.033 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.43 67.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.403 -0.817 . . . . 1.4 110.552 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.23 -19.58 46.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.344 -0.844 . . . . 1.3 109.697 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -72.34 -20.07 61.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.374 -0.83 . . . . 2.8 109.845 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 62.8 36.81 12.85 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.761 -1.109 . . . . 2.72 112.664 172.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.19 9.84 11.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.719 0.295 . . . . 2.13 110.979 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 63.97 51.62 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.759 . . . . 2.02 109.894 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -149.26 118.32 6.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.603 -0.726 . . . . 2.16 110.582 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 p -80.9 107.45 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.656 0.741 . . . . 1.81 110.367 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.758 ' HA ' HG21 ' A' ' 27' ' ' THR . 24.1 t70 -85.69 174.97 9.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.592 -0.731 . . . . 2.02 109.163 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -59.03 -34.54 72.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.308 0.504 . . . . 2.17 109.965 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 21.2 tt0 -68.34 -43.06 78.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 1.66 111.029 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.5 mm-40 -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.803 0.811 . . . . 1.99 109.333 178.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 78' ' ' VAL . 69.9 t80 -74.52 -20.61 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.575 . . . . 1.92 109.795 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -68.43 -40.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.625 -0.716 . . . . 0.67 109.674 177.645 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.586 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.6 p -70.4 -29.28 65.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.985 -0.552 . . . . 0.74 109.765 173.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.5 tm? -59.23 -46.81 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.789 -0.449 . . . . 1.15 109.789 173.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.7 t -64.09 -29.65 47.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.33 109.623 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.6 -51.48 68.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.187 0.518 . . . . 0.43 109.997 174.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -55.24 -41.37 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.299 -0.864 . . . . 0.4 110.41 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.68 -33.44 58.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.436 -0.802 . . . . 0.28 112.588 -174.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 93.7 mt -73.76 -35.2 64.97 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 0.33 109.856 176.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.2 OUTLIER -62.63 -49.74 73.97 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.462 -0.79 . . . . 1.67 109.253 170.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -62.56 -22.21 66.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.563 . . . . 0.48 112.135 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.03 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.672 0.249 . . . . 0.57 111.672 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.59 -42.08 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.472 0.653 . . . . 2.68 110.661 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' THR . 8.2 t80 -90.19 23.87 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.107 -0.951 . . . . 1.8 109.385 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -46.32 19.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.721 2.119 . . . . 3.26 116.721 -175.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' TYR . 2.5 t -71.89 -45.33 61.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.57 -0.9 . . . . 1.26 108.57 173.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.435 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 90.3 m-70 -167.33 -38.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.641 0.777 . . . . 3.47 109.796 176.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 0.4 OUTLIER 72.6 -52.59 0.7 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.743 -1.117 . . . . 3.47 109.045 -168.112 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' N ' ' HZ3' ' A' ' 91' ' ' LYS . 10.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 114.611 -1.177 . . . . 7.09 108.661 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.768 0.318 . . . . 6.42 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.4 t -155.63 51.49 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.97 0.891 . . . . 4.26 110.088 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -113.87 20.21 15.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.351 -0.84 . . . . 6.04 110.264 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.61 ' H ' HD12 ' B' ' 4' ' ' LEU . 8.0 mp -31.07 115.72 0.14 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.299 -1.319 . . . . 4.5 113.443 -178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.497 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.8 pt-20 49.5 13.98 0.09 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.33 1.452 . . . . 3.1 114.626 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.448 0.642 . . . . 2.51 109.753 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.507 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 27.0 m-70 -82.84 -39.93 21.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.535 -0.757 . . . . 2.16 111.607 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.784 HD13 ' HB1' ' A' ' 81' ' ' ALA . 78.9 mt -63.01 -60.97 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.246 0.546 . . . . 0.34 110.485 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.82 -25.31 65.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.229 -0.896 . . . . 2.41 109.852 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.499 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -70.67 -42.21 62.94 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.604 -0.726 . . . . 0.44 112.676 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' ' 7' ' ' HIS . 62.9 mt -64.47 -40.25 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 117.593 0.697 . . . . 1.16 109.338 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.76 -37.22 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.121 -0.945 . . . . 0.57 110.389 174.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.472 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 8.9 t30 -69.41 -41.91 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 1.42 110.657 176.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.62 -43.5 91.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.292 -0.413 . . . . 2.06 110.269 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.05 -40.83 98.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.591 -0.522 . . . . 2.58 109.591 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.491 ' HA ' ' O ' ' B' ' 19' ' ' SER . 11.6 m-70 -58.41 -37.69 75.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.705 0.288 . . . . 2.23 110.963 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 16.0 mm100 -57.52 -51.98 67.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 2.77 111.335 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.513 ' CE1' ' HD3' ' B' ' 39' ' ' LYS . 95.7 m-85 -88.06 -23.99 23.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.244 0.461 . . . . 6.25 112.244 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' B' ' 16' ' ' HIS . 48.9 m -135.28 121.06 19.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.503 0.192 . . . . 3.02 111.481 -178.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m 40.78 79.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.99 1.107 . . . . 4.12 113.99 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -80.09 -18.22 50.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.954 0.407 . . . . 7.28 110.067 175.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -152.57 -52.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.809 -0.632 . . . . 8.71 110.347 176.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.98 116.94 0.74 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.546 -0.835 . . . . 5.68 112.403 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -161.89 75.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.356 -0.609 . . . . 8.27 109.356 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 70.12 -80.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.469 -0.787 . . . . 7.5 110.422 -175.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -176.74 -72.21 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.25 -0.648 . . . . 5.62 109.25 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.744 HG21 ' HA ' ' B' ' 70' ' ' ASP . 4.2 p -153.02 125.76 8.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.243 -1.021 . . . . 3.95 108.243 176.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.421 ' HB2' ' CD ' ' B' ' 32' ' ' GLU . 66.9 mt -102.19 -166.77 1.32 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.27 0.557 . . . . 2.91 112.25 -171.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -84.47 -170.54 3.16 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.167 0.802 . . . . 1.35 113.167 -168.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.535 ' HB2' ' CD2' ' B' ' 58' ' ' PHE . 8.8 ttpp -56.03 -20.4 16.66 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.008 -0.996 . . . . 1.32 113.213 -177.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' B' ' 34' ' ' LYS . . . -54.13 -55.26 27.1 Favored Glycine 0 N--CA 1.463 0.434 0 C-N-CA 121.403 -0.427 . . . . 0.4 114.101 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' B' ' 28' ' ' LEU . 4.2 pt-20 -74.3 -29.46 61.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.853 0.359 . . . . 2.43 111.534 -175.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 37.1 tp -60.33 -52.73 64.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.993 -0.743 . . . . 0.52 108.993 172.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' B' ' 31' ' ' GLY . 28.8 ttmt -48.51 -48.25 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.506 -1.224 . . . . 1.87 110.922 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.604 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 46.3 mt-30 -55.71 -62.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.45 110.716 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -49.57 -47.47 49.23 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.302 0.573 . . . . 0.45 110.512 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.0 mt -63.71 -52.36 60.9 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.762 -0.654 . . . . 0.45 112.378 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.492 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.5 p -64.4 -35.49 81.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.437 -0.347 . . . . 1.23 111.729 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.7 ptmt -97.28 -26.89 14.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.38 0.881 . . . . 1.62 113.38 -175.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 64.2 mm-40 -98.98 -41.71 7.45 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.148 0.499 . . . . 1.67 111.105 -176.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.511 HD22 HD11 ' A' ' 8' ' ' LEU . 15.5 mt -107.92 24.57 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.393 0.616 . . . . 1.42 109.963 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.404 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -46.33 -40.0 11.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.257 -1.338 . . . . 0.78 113.773 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -117.8 28.9 8.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.187 0.518 . . . . 2.16 110.795 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.514 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.6 m -112.73 -60.33 1.89 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.459 0.647 . . . . 0.66 110.324 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 48.9 mt -86.76 138.37 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.943 -1.026 . . . . 0.6 109.577 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.501 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -54.69 122.86 11.57 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 120.661 0.267 . . . . 1.61 110.695 -177.261 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.501 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 13.3 m120 45.22 44.91 9.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.021 -0.99 . . . . 1.48 111.835 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.8 tp -61.31 -10.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.816 0.817 . . . . 0.56 110.875 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.492 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.7 mmmm -84.7 -10.45 57.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.273 -0.876 . . . . 1.11 110.28 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.0 129.37 37.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.416 -0.811 . . . . 1.59 111.358 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.66 -31.18 71.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.595 -1.184 . . . . 0.92 111.157 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.82 77.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.264 -0.643 . . . . 0.67 109.264 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.47 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.6 t -72.55 -47.39 51.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.711 -1.131 . . . . 0.6 109.643 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.27 -38.07 76.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.339 -0.846 . . . . 0.42 111.563 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.69 -54.72 38.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 109.426 -0.583 . . . . 1.53 109.426 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -46.58 -44.27 17.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.142 -0.935 . . . . 1.77 111.341 176.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.654 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.1 mt -70.62 -60.18 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.57 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' B' ' 30' ' ' LYS . 84.0 t80 -55.52 -46.43 77.04 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.824 0.345 . . . . 1.67 110.917 -177.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.433 ' OE1' ' HA ' ' B' ' 59' ' ' GLN . 13.7 mm-40 -64.35 -25.05 67.86 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.688 -0.687 . . . . 1.91 110.341 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.24 -29.27 46.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.792 -0.718 . . . . 0.53 112.799 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 3.0 mt -84.86 -39.87 17.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 117.102 0.451 . . . . 0.59 110.1 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.42 67.78 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.304 -0.862 . . . . 1.4 110.569 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.16 -19.34 47.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 1.31 109.749 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.61 -19.73 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.268 -0.878 . . . . 2.8 109.963 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 62.26 37.26 14.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.683 -1.144 . . . . 2.72 112.48 171.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -120.53 9.77 10.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.73 0.3 . . . . 2.14 110.991 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 64.03 51.71 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 2.01 109.951 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -149.2 118.3 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 2.16 110.619 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.8 p -80.75 107.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.661 0.743 . . . . 1.81 110.358 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.744 ' HA ' HG21 ' B' ' 27' ' ' THR . 22.3 t70 -85.8 175.06 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.029 -0.73 . . . . 2.02 109.029 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.285 0.493 . . . . 2.18 110.058 176.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 21.5 tt0 -68.33 -43.1 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 1.67 111.023 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.4 mm-40 -70.2 -31.05 68.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.727 0.775 . . . . 1.99 109.487 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.625 ' O ' HG23 ' B' ' 78' ' ' VAL . 69.8 t80 -74.43 -20.76 59.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 1.92 109.707 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -68.08 -40.61 83.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.616 -0.72 . . . . 0.67 109.734 177.448 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.588 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.6 p -70.45 -29.19 65.69 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.005 -0.543 . . . . 0.74 109.628 173.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.589 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.5 tm? -59.32 -46.76 87.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.769 -0.456 . . . . 1.14 109.769 173.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.8 t -64.06 -29.78 48.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.59 -0.522 . . . . 0.33 109.59 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.59 -51.12 69.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.204 0.526 . . . . 0.43 109.962 174.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.588 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -55.74 -41.2 64.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.315 -0.857 . . . . 0.4 110.323 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.785 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.78 -33.47 58.05 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.434 -0.803 . . . . 0.28 112.57 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 93.7 mt -73.72 -35.07 65.05 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.344 0.592 . . . . 0.33 109.943 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.461 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -62.61 -49.61 74.54 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.558 -0.746 . . . . 1.67 109.211 170.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -62.84 -22.05 66.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.032 -0.531 . . . . 0.48 112.065 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.22 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.779 0.288 . . . . 0.57 111.779 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.91 -42.28 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.456 0.645 . . . . 2.68 110.626 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' B' ' 89' ' ' THR . 8.4 t80 -90.11 23.73 2.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.087 -0.96 . . . . 1.8 109.303 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -46.29 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.725 2.12 . . . . 3.27 116.725 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.485 ' N ' ' O ' ' B' ' 87' ' ' TYR . 2.5 t -71.76 -45.55 61.32 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.559 -0.904 . . . . 1.27 108.559 173.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.43 ' O ' ' HB3' ' B' ' 91' ' ' LYS . 90.7 m-70 -167.19 -37.91 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.637 0.775 . . . . 3.47 109.852 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.463 ' NZ ' ' HB3' ' B' ' 91' ' ' LYS . 0.4 OUTLIER 72.21 -52.27 0.7 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.835 -1.075 . . . . 3.47 109.06 -168.196 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.406 ' N ' ' HZ3' ' B' ' 91' ' ' LYS . 10.6 tp10 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 114.678 -1.146 . . . . 7.08 108.71 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' SD ' HD22 ' A' ' 4' ' ' LEU . 25.6 mmt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.856 0.36 . . . . 6.42 110.752 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -83.89 -53.24 5.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 4.25 110.598 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.447 ' HD2' HD21 ' B' ' 41' ' ' LEU . 9.3 ptpp? -95.05 15.39 19.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 6.05 110.657 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 61.8 tp -49.64 101.0 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 124.057 0.848 . . . . 4.5 111.89 -175.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 9.8 pt-20 59.01 -38.06 0.06 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.031 1.732 . . . . 3.1 114.404 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.54 -42.48 64.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 2.51 111.15 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.467 ' O ' HG13 ' A' ' 11' ' ' ILE . 13.9 m80 -75.56 -55.22 5.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.436 -0.347 . . . . 2.16 110.51 -176.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.908 HD13 ' HB1' ' B' ' 81' ' ' ALA . 57.0 mt -62.19 -60.32 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.215 0.531 . . . . 0.34 111.559 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.34 -26.8 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.68 -0.691 . . . . 2.41 109.932 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.44 -38.27 90.81 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.915 -0.659 . . . . 0.44 112.577 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.9 mt -66.43 -42.31 90.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.243 -0.651 . . . . 1.16 109.243 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.544 ' O ' ' HB3' ' A' ' 15' ' ' PHE . 71.1 t -64.71 -33.13 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 114.594 -1.184 . . . . 0.57 111.323 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -64.93 -43.27 93.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 1.42 111.393 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 mm -72.12 -23.86 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.116 0.484 . . . . 2.06 110.258 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.544 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 61.9 t80 -59.34 -42.81 92.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.297 -0.631 . . . . 2.57 109.297 171.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.23 -0.895 . . . . 2.23 110.657 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -68.76 -57.91 4.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 2.77 112.243 -176.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.654 ' CD1' ' HB3' ' A' ' 32' ' ' GLU . 25.5 p90 -65.6 -26.8 68.0 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.351 -0.54 . . . . 6.25 111.58 -174.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 m -126.2 81.2 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.024 0.44 . . . . 3.01 110.618 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 m -67.61 142.47 16.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 4.13 110.269 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -89.13 -7.89 54.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.282 0.563 . . . . 7.28 110.071 -175.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.63 -36.02 82.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.616 -0.72 . . . . 8.7 109.529 173.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.66 84.54 0.43 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.465 -1.054 . . . . 5.67 110.465 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -51.87 129.33 26.43 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.255 0.55 . . . . 8.27 111.977 -174.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -169.14 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.033 -1.099 . . . . 7.5 108.033 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 47.55 52.6 12.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.604 -1.18 . . . . 5.62 112.327 168.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 m -119.85 86.71 2.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.37 0.605 . . . . 3.94 109.702 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -83.06 61.86 6.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.357 -0.838 . . . . 2.91 110.59 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.7 p -85.75 -172.73 4.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.417 -0.356 . . . . 1.35 111.402 -176.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -65.59 -27.21 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.058 -0.257 . . . . 1.32 111.328 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 -41.85 99.64 Favored Glycine 0 CA--C 1.513 -0.089 0 C-N-CA 120.558 -0.829 . . . . 0.4 112.099 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.654 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 10.4 mm-40 -69.36 -42.2 75.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.289 0.566 . . . . 2.44 110.427 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.668 HD11 ' HG ' ' A' ' 77' ' ' LEU . 23.3 tp -62.39 -51.55 67.14 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.152 -0.931 . . . . 0.52 109.639 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -53.44 -46.04 69.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 1.87 111.089 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -53.25 -58.77 5.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.256 -0.429 . . . . 2.46 110.042 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.5 tt -54.38 -51.63 64.23 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.936 0.398 . . . . 0.45 110.599 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD21 HD21 ' A' ' 77' ' ' LEU . 97.0 mt -58.85 -49.67 76.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.757 0.651 . . . . 0.45 112.757 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.511 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 28.7 p -66.39 -31.55 72.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.003 0.371 . . . . 1.23 112.003 -174.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -96.62 -22.56 16.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.721 0.638 . . . . 1.61 112.721 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 24.6 mm-40 -103.36 -46.48 4.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.964 0.411 . . . . 1.67 111.826 -174.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.699 HD22 HD11 ' B' ' 8' ' ' LEU . 15.8 mt -107.14 22.2 16.36 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.071 -0.513 . . . . 1.42 109.765 -174.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -48.13 -34.32 9.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.767 -1.106 . . . . 0.78 113.036 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -122.38 35.75 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.447 0.641 . . . . 2.16 110.771 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.527 HG21 HD12 ' B' ' 8' ' ' LEU . 16.9 m -119.73 -62.81 1.45 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.304 0.573 . . . . 0.66 109.941 174.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 57.0 mt -84.71 133.29 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.267 -0.879 . . . . 0.6 109.753 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HB3' ' N ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -53.23 127.0 22.89 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 123.359 0.412 . . . . 1.61 110.909 -178.769 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.41 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 9.3 m120 48.34 39.77 13.11 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.918 0.761 . . . . 1.48 111.406 174.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.0 tp -62.65 -8.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 122.09 0.948 . . . . 0.55 110.25 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.6 OUTLIER -84.66 -12.95 52.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.744 -1.116 . . . . 1.11 110.214 178.535 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.34 129.41 34.86 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.691 -0.686 . . . . 1.58 110.53 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.75 -26.41 67.71 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.574 -0.739 . . . . 0.92 109.702 178.18 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.33 78.03 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.64 0.733 . . . . 0.67 109.393 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.0 t -74.69 -45.2 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.61 -1.177 . . . . 0.6 109.397 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.89 -38.55 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.921 -1.036 . . . . 0.42 111.438 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 1.1 t70 -66.62 -43.34 85.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.169 -0.678 . . . . 1.53 109.169 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 28.6 mm-40 -50.85 -47.2 60.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 1.77 110.941 174.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 63.2 mt -71.85 -53.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.903 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 88.2 t80 -52.08 -48.57 64.63 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.336 -0.847 . . . . 1.68 110.818 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -68.11 -25.9 65.54 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.795 -0.639 . . . . 1.92 110.695 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.48 73.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.895 -0.669 . . . . 0.53 111.736 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -90.08 -39.99 12.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.542 -0.54 . . . . 0.58 109.542 179.179 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.41 69.89 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.498 0.666 . . . . 1.4 110.007 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.82 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 1.3 110.975 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -86.88 -11.63 50.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.224 0.535 . . . . 2.8 110.131 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 60.55 43.04 13.33 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.101 -0.954 . . . . 2.72 110.572 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -99.85 -10.7 21.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 2.13 109.825 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 34.3 mt-10 65.29 29.59 11.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.763 -1.108 . . . . 2.02 111.696 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -139.58 120.3 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.102 -0.499 . . . . 2.16 110.607 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.03 115.28 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.666 -0.697 . . . . 1.81 110.828 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.565 ' HB3' ' HG2' ' A' ' 73' ' ' GLU . 20.1 t70 -79.16 166.8 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 2.02 109.086 173.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.462 ' HD1' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 m-85 -56.21 -36.82 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.242 0.544 . . . . 2.17 110.286 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 62.0 tt0 -69.32 -40.65 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.374 -0.83 . . . . 1.66 110.445 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 70' ' ' ASP . 2.5 mm-40 -73.16 -30.48 63.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.647 -0.706 . . . . 1.99 109.892 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.585 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 80.4 t80 -70.41 -23.09 62.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.527 0.68 . . . . 1.92 109.462 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.64 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.7 mt -70.78 -40.34 76.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.425 -0.807 . . . . 0.67 109.472 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.717 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.35 -23.49 63.77 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.072 -0.513 . . . . 0.74 110.251 173.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.668 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.2 tm? -60.81 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.893 -0.781 . . . . 1.15 108.893 172.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.485 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 8.6 t -63.17 -31.4 52.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 CA-C-N 115.613 -0.721 . . . . 0.33 109.514 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -59.04 -50.69 73.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 0.43 110.714 176.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.717 HD13 ' O ' ' A' ' 76' ' ' SER . 1.4 mp -58.15 -38.77 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.313 -0.858 . . . . 0.4 110.311 177.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.912 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.39 -37.44 60.51 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.488 -0.778 . . . . 0.28 111.716 -176.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -64.9 -35.37 80.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.572 0.701 . . . . 0.33 109.294 173.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.635 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 13.3 mttp -75.84 -20.76 57.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.292 -0.867 . . . . 1.67 111.105 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HA ' ' HB2' ' A' ' 91' ' ' LYS . . . -70.87 -24.94 62.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.27 0.557 . . . . 0.48 109.654 173.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -82.83 -57.51 3.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.45 -0.795 . . . . 0.57 111.286 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.414 ' C ' ' H ' ' A' ' 88' ' ' HIS . 38.6 t60 -83.41 -57.85 3.07 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 2.68 111.783 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.512 ' C ' ' H ' ' A' ' 89' ' ' THR . 21.2 t80 -83.46 22.4 1.05 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 1.8 110.148 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.563 ' HB2' ' HB3' ' A' ' 92' ' ' GLU . 6.2 p-80 -47.12 19.97 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.556 1.942 . . . . 3.26 116.186 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.512 ' H ' ' C ' ' A' ' 87' ' ' TYR . 39.5 p -67.99 -44.9 75.57 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.925 -0.485 . . . . 1.26 111.211 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -133.08 15.59 4.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 3.47 110.436 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 66.4 mttm -118.35 18.19 13.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.499 -0.773 . . . . 3.47 109.211 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 8.2 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.945 -1.025 . . . . 7.09 109.084 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.415 ' SD ' HD22 ' B' ' 4' ' ' LEU . 25.5 mmt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.848 0.356 . . . . 6.42 110.755 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -83.87 -53.32 5.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.081 0.467 . . . . 4.26 110.56 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.449 ' HA ' ' ND1' ' B' ' 7' ' ' HIS . 9.4 ptpp? -95.28 15.47 19.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 6.04 110.655 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' B' ' 5' ' ' GLU . 61.9 tp -49.76 101.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.138 0.899 . . . . 4.5 111.806 -175.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 9.8 pt-20 58.9 -38.47 0.06 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.094 1.757 . . . . 3.1 114.515 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.26 -42.48 63.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 2.51 111.177 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.464 ' O ' HG13 ' B' ' 11' ' ' ILE . 14.0 m80 -75.63 -55.17 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.415 -0.357 . . . . 2.16 110.446 -176.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.912 HD13 ' HB1' ' A' ' 81' ' ' ALA . 56.8 mt -62.35 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 0.34 111.526 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.32 -26.92 63.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.672 -0.695 . . . . 2.41 109.945 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.61 92.1 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.941 -0.647 . . . . 0.44 112.493 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.4 mt -66.24 -42.13 90.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.242 -0.651 . . . . 1.16 109.242 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' B' ' 15' ' ' PHE . 70.0 t -64.73 -33.53 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.727 -1.124 . . . . 0.57 111.2 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.66 -43.56 93.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.42 111.266 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 mm -71.89 -23.83 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.004 0.43 . . . . 2.06 110.198 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.558 ' HB3' ' O ' ' B' ' 12' ' ' VAL . 61.7 t80 -59.48 -42.53 92.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.276 -0.639 . . . . 2.58 109.276 171.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.41 -21.91 61.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.258 -0.883 . . . . 2.23 110.647 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -68.89 -57.53 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 2.77 112.34 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.656 ' CD1' ' HB3' ' B' ' 32' ' ' GLU . 25.5 p90 -65.73 -27.06 68.04 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.45 -0.5 . . . . 6.25 111.525 -174.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -126.05 81.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.96 0.41 . . . . 3.02 110.52 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.79 142.42 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.96 -0.564 . . . . 4.12 110.265 177.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -89.07 -8.13 54.5 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.977 -0.556 . . . . 7.28 110.084 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.85 -37.1 86.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.759 -0.655 . . . . 8.71 109.494 173.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.78 84.26 0.44 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.475 -1.05 . . . . 5.68 110.475 173.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -51.99 129.21 26.56 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.305 0.574 . . . . 8.27 112.04 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -169.06 -44.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.168 -1.049 . . . . 7.5 108.168 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 47.56 52.43 12.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 114.63 -1.168 . . . . 5.62 112.292 168.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.5 m -119.53 86.86 2.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.251 0.548 . . . . 3.95 109.671 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -83.02 61.84 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.317 -0.856 . . . . 2.91 110.543 -175.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -85.84 -172.76 4.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.469 -0.332 . . . . 1.35 111.466 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.43 -27.29 68.42 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.99 -0.284 . . . . 1.32 111.341 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.02 99.67 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.584 -0.817 . . . . 0.4 111.942 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.656 ' HB3' ' CD1' ' B' ' 18' ' ' TYR . 10.9 mm-40 -69.34 -42.06 75.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 2.43 110.443 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.674 HD11 ' HG ' ' B' ' 77' ' ' LEU . 23.5 tp -62.51 -51.47 67.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.229 -0.896 . . . . 0.52 109.635 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.38 -45.93 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.458 -0.792 . . . . 1.87 111.112 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.48 -58.72 6.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.181 -0.463 . . . . 2.45 110.027 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 9.4 tt -54.33 -51.7 63.87 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 123.289 0.368 . . . . 0.45 110.591 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.619 HD21 HD21 ' B' ' 77' ' ' LEU . 97.0 mt -58.83 -49.68 76.83 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.723 0.638 . . . . 0.45 112.723 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 29.6 p -66.34 -31.48 72.3 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.073 0.397 . . . . 1.23 112.073 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -96.56 -22.68 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.803 0.668 . . . . 1.62 112.803 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 25.7 mm-40 -103.41 -46.43 4.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.935 0.398 . . . . 1.67 111.8 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.725 HD22 HD11 ' A' ' 8' ' ' LEU . 15.8 mt -107.17 22.14 16.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.1 -0.5 . . . . 1.42 109.735 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -48.05 -34.71 9.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.738 -1.119 . . . . 0.78 112.902 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -122.06 35.84 4.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.403 0.62 . . . . 2.16 110.657 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.5 HG21 HD12 ' A' ' 8' ' ' LEU . 16.7 m -119.81 -62.68 1.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.545 . . . . 0.66 109.972 174.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 57.1 mt -84.9 133.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.251 -0.886 . . . . 0.6 109.742 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.477 ' HB3' ' N ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -53.15 127.04 22.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.346 0.404 . . . . 1.61 110.856 -178.621 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.407 ' HB2' HG21 ' B' ' 53' ' ' VAL . 9.2 m120 48.44 39.64 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.84 0.712 . . . . 1.48 111.418 174.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.0 tp -62.62 -8.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 122.049 0.928 . . . . 0.56 110.277 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.434 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.76 -12.61 53.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.709 -1.132 . . . . 1.11 110.159 178.616 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.6 128.91 35.02 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 115.643 -0.708 . . . . 1.59 110.617 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.48 68.07 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.44 -0.8 . . . . 0.92 109.894 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.74 78.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.507 0.67 . . . . 0.67 109.365 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.437 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -74.22 -45.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.5 -1.227 . . . . 0.6 109.509 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.05 -38.68 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.885 -1.052 . . . . 0.42 111.386 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 1.0 OUTLIER -66.51 -43.25 85.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.055 -0.72 . . . . 1.53 109.055 -178.671 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -51.0 -47.08 61.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.162 -0.926 . . . . 1.77 110.981 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.577 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 63.4 mt -71.93 -53.03 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.872 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 87.9 t80 -52.2 -48.56 65.0 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.357 -0.838 . . . . 1.67 110.77 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -68.22 -25.82 65.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.682 -0.69 . . . . 1.91 110.723 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.69 -31.45 70.52 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.801 -0.714 . . . . 0.53 111.833 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -90.57 -39.91 12.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.53 -0.544 . . . . 0.59 109.53 178.754 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -77.62 70.13 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.608 0.718 . . . . 1.4 110.011 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.22 -17.3 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.561 -0.745 . . . . 1.31 111.003 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -87.4 -11.3 49.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.266 0.555 . . . . 2.8 110.163 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 60.11 43.39 14.3 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.14 -0.936 . . . . 2.72 110.571 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.88 -10.95 21.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.504 -0.771 . . . . 2.14 109.744 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.474 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 34.2 mt-10 65.06 30.4 11.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.731 -1.122 . . . . 2.01 111.637 -177.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.31 120.49 13.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.984 -0.553 . . . . 2.16 110.544 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.54 114.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.614 -0.721 . . . . 1.81 110.797 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' B' ' 73' ' ' GLU . 21.3 t70 -78.79 166.8 22.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.302 -0.629 . . . . 2.02 109.302 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.473 ' HD1' ' CZ ' ' B' ' 15' ' ' PHE . 1.6 m-85 -56.31 -37.04 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.327 0.584 . . . . 2.18 110.15 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.516 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 61.8 tt0 -69.02 -40.52 78.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.353 -0.839 . . . . 1.67 110.663 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' B' ' 70' ' ' ASP . 2.5 mm-40 -73.29 -30.52 63.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.634 -0.712 . . . . 1.99 109.858 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.582 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 80.6 t80 -70.44 -23.03 62.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.593 0.711 . . . . 1.92 109.498 173.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.635 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.7 mt -70.59 -40.58 77.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.412 -0.813 . . . . 0.67 109.465 176.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.708 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.0 p -69.41 -23.19 63.68 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.068 -0.514 . . . . 0.74 110.246 173.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.674 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.2 tm? -60.88 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.92 -0.77 . . . . 1.14 108.92 172.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 8.9 t -63.26 -31.29 52.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-N 115.562 -0.744 . . . . 0.33 109.473 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.14 -50.77 72.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.078 -0.51 . . . . 0.43 110.678 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.708 HD13 ' O ' ' B' ' 76' ' ' SER . 1.4 mp -58.09 -38.68 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 0.4 110.29 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.908 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.55 -37.32 60.06 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.514 -0.766 . . . . 0.28 111.706 -176.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.2 mt -65.0 -35.19 80.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.56 0.695 . . . . 0.33 109.376 173.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.64 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 13.4 mttp -75.93 -20.78 57.69 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.298 -0.865 . . . . 1.67 111.097 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' B' ' 91' ' ' LYS . . . -70.9 -24.9 62.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.317 0.579 . . . . 0.48 109.562 173.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.441 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.05 -57.69 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.439 -0.801 . . . . 0.57 111.127 173.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' B' ' 88' ' ' HIS . 39.0 t60 -83.13 -58.11 2.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.929 0.395 . . . . 2.68 111.637 -174.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.519 ' C ' ' H ' ' B' ' 89' ' ' THR . 20.9 t80 -83.21 22.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.177 0.591 . . . . 1.8 110.209 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.564 ' HB2' ' HB3' ' B' ' 92' ' ' GLU . 6.2 p-80 -47.25 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.663 1.985 . . . . 3.27 116.187 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.519 ' H ' ' C ' ' B' ' 87' ' ' TYR . 41.2 p -67.77 -45.15 75.69 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.935 -0.478 . . . . 1.27 111.264 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -132.78 15.21 4.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.378 0.609 . . . . 3.47 110.513 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.436 ' HD2' ' HB3' ' B' ' 83' ' ' LYS . 66.3 mttm -118.18 18.26 13.82 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.427 -0.806 . . . . 3.47 109.252 174.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.564 ' HB3' ' HB2' ' B' ' 88' ' ' HIS . 8.2 tp10 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 114.99 -1.004 . . . . 7.08 109.459 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.455 ' SD ' ' HG2' ' B' ' 17' ' ' GLN . 95.9 mmm . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.669 -0.493 . . . . 6.42 109.669 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' B' ' 40' ' ' GLU . 87.3 m -112.1 106.31 14.91 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.296 -0.411 . . . . 4.25 109.933 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -115.03 -4.57 12.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.812 0.815 . . . . 6.05 109.752 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -133.97 153.07 52.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.277 -1.008 . . . . 4.5 108.277 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.516 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 0.0 OUTLIER -78.87 37.67 0.31 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.074 0.398 . . . . 3.1 112.074 -173.44 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 35.4 mt-10 -61.59 -33.97 74.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.341 0.591 . . . . 2.51 110.485 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.42 -58.61 3.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.822 -0.626 . . . . 2.16 110.525 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.816 HD13 ' HB1' ' B' ' 81' ' ' ALA . 82.0 mt -64.0 -60.07 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.34 111.453 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.35 -25.03 64.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.566 -0.531 . . . . 2.41 109.566 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.606 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.71 -43.43 97.81 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.864 -0.684 . . . . 0.44 112.496 174.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.26 -45.93 92.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.185 0.517 . . . . 1.16 109.869 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' B' ' 86' ' ' HIS . 4.1 t -51.03 -42.85 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.371 -0.831 . . . . 0.57 111.4 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.43 -34.54 77.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 1.42 111.126 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.606 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.6 mm -68.05 -41.27 84.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 120.832 0.349 . . . . 2.06 110.207 177.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 74' ' ' PHE . 22.3 m-85 -58.56 -49.75 76.31 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.044 -0.724 . . . . 2.57 109.044 173.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.83 -21.27 64.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.026 -0.988 . . . . 2.23 111.326 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' HG2' ' SD ' ' B' ' 1' ' ' MET . 53.5 tp60 -71.3 -56.13 6.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.372 -0.377 . . . . 2.77 111.599 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.442 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 36.7 t80 -85.11 -52.93 5.6 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 119.269 -0.973 . . . . 6.25 110.577 -179.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -89.13 111.09 21.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.999 0.428 . . . . 3.01 110.048 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.75 -179.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.038 -0.528 . . . . 4.13 110.908 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -64.33 155.69 31.45 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.938 -0.305 . . . . 7.28 110.565 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.516 ' HE2' ' OD2' ' A' ' 26' ' ' ASP . 55.8 mtpt -67.03 -89.0 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.302 -0.408 . . . . 8.7 111.558 -172.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.65 -73.44 0.62 Allowed Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.104 -0.57 . . . . 5.67 112.406 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -129.73 153.75 47.87 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.087 -0.708 . . . . 8.27 109.087 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.6 t80 57.14 63.49 1.88 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.566 0.698 . . . . 7.5 109.5 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.516 ' OD2' ' HE2' ' A' ' 22' ' ' LYS . 6.3 m-20 -74.81 84.63 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.086 -0.961 . . . . 5.62 110.905 -174.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t -165.69 115.44 1.02 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.341 0.591 . . . . 3.94 111.273 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 2.1 mm? -101.24 121.29 41.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 2.91 107.987 172.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 m -104.73 -172.92 2.19 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.829 0.677 . . . . 1.35 112.829 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 2.1 ttmp? -66.86 -35.88 81.05 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.311 -0.404 . . . . 1.32 111.034 -177.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.97 -44.02 87.83 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 121.293 -0.479 . . . . 0.4 113.186 -177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 32.4 mt-10 -66.33 -39.67 89.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.081 0.467 . . . . 2.44 110.642 -178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.4 tp -62.52 -46.05 90.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.795 . . . . 0.52 109.636 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 59.9 tttm -56.02 -45.44 79.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.343 -0.844 . . . . 1.87 111.472 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.0 mp0 -57.67 -61.26 2.64 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.014 -0.274 . . . . 2.46 110.336 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.3 tt -49.14 -43.89 42.12 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 123.856 0.722 . . . . 0.45 110.974 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 91.2 mt -68.27 -50.86 50.88 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.262 0.467 . . . . 0.45 112.262 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 49' ' ' LYS . 31.7 p -65.79 -29.29 69.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.384 -0.371 . . . . 1.23 111.804 -175.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.9 ptmt -96.88 -39.87 9.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.678 0.621 . . . . 1.61 112.678 -177.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' B' ' 2' ' ' THR . 10.3 mm-40 -92.86 -46.48 7.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.855 0.36 . . . . 1.67 111.532 -170.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.571 HD22 HD11 ' B' ' 8' ' ' LEU . 17.5 mt -102.87 23.32 12.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.227 0.536 . . . . 1.42 109.803 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.557 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.864 -1.062 . . . . 0.78 111.97 -178.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -110.8 25.1 12.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.89 -0.595 . . . . 2.16 110.632 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.534 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 13.4 m -120.41 -65.57 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.54 . . . . 0.66 110.683 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.558 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 46.1 mt -84.16 137.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.024 -0.989 . . . . 0.6 110.645 -174.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -58.7 127.36 31.81 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.596 -0.275 . . . . 1.61 110.566 -179.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.444 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 3.9 m-20 48.65 39.5 13.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.501 -0.772 . . . . 1.48 110.931 175.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.558 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.1 tp -63.21 -8.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 122.247 1.022 . . . . 0.55 110.032 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.528 ' HA ' HG22 ' A' ' 38' ' ' THR . 14.1 mmmm -82.27 -12.28 58.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.45 -1.25 . . . . 1.11 109.893 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.5 133.34 35.12 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 121.493 0.664 . . . . 1.58 110.686 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -62.19 -27.47 69.0 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.638 -1.165 . . . . 0.92 110.77 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.86 74.08 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.664 0.745 . . . . 0.67 109.469 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.6 t -76.78 -42.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.781 -1.1 . . . . 0.6 109.41 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.419 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.4 mt -61.91 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.203 -0.908 . . . . 0.42 111.101 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 17.0 t70 -60.63 -54.25 47.63 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 115.526 -0.761 . . . . 1.53 109.466 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -45.6 -46.18 14.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.311 -0.859 . . . . 1.77 111.439 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 53' ' ' VAL . 51.8 mt -69.21 -57.6 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.047 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.496 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 91.8 t80 -55.9 -44.51 78.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 1.68 110.941 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 71.7 mm-40 -62.15 -29.49 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.863 -0.608 . . . . 1.92 109.986 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.53 -22.44 75.35 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.53 112.987 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -97.05 -41.44 8.36 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 117.315 0.558 . . . . 0.58 109.903 179.699 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.21 76.67 0.09 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.138 0.899 . . . . 1.4 110.693 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.67 -16.35 54.21 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.816 -1.084 . . . . 1.3 109.441 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.29 -20.42 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.919 -1.037 . . . . 2.8 109.963 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 60.05 34.44 21.37 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 114.623 -1.172 . . . . 2.72 111.545 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -135.36 17.05 3.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.812 0.815 . . . . 2.13 109.66 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 60.99 52.8 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.526 -1.215 . . . . 2.02 109.982 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -134.55 116.84 15.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.532 -0.758 . . . . 2.16 109.673 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 4.6 p -103.69 107.97 23.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 121.542 0.686 . . . . 1.81 110.507 176.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.85 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.649 . . . . 2.02 109.535 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 97.2 m-85 -61.61 -26.54 68.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.994 0.426 . . . . 2.17 110.92 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.608 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 51.8 tt0 -70.45 -35.44 73.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.309 0.576 . . . . 1.66 110.364 172.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 35.0 mt-10 -80.43 -29.95 37.61 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 1.99 109.989 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 22.9 m-85 -62.32 -27.59 69.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.326 0.584 . . . . 1.92 109.536 166.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.608 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -68.38 -40.43 82.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.362 -0.836 . . . . 0.67 109.328 176.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 80' ' ' ILE . 49.1 m -59.84 -36.06 76.04 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.538 -0.756 . . . . 0.74 109.884 173.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.567 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 7.1 tp -57.63 -46.31 84.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.15 110.731 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.442 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.9 t -67.21 -25.89 34.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 0.33 109.817 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.93 -48.81 78.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.287 0.565 . . . . 0.43 109.597 172.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -62.24 -37.59 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.166 -0.924 . . . . 0.4 110.405 176.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.866 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.97 -38.43 53.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.908 -0.587 . . . . 0.28 112.388 -174.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.9 mt -69.22 -36.11 76.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.625 0.726 . . . . 0.33 109.092 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -59.55 -38.39 80.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.729 -1.123 . . . . 1.67 109.891 171.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HA ' ' HB2' ' A' ' 91' ' ' LYS . . . -71.09 -22.95 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.845 . . . . 0.48 111.666 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.61 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.3 -58.55 2.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.516 -0.311 . . . . 0.57 111.539 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.621 ' HB2' HG13 ' B' ' 12' ' ' VAL . 72.7 t60 -86.21 -50.64 6.83 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.292 0.479 . . . . 2.68 112.292 -174.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.553 ' O ' HG22 ' A' ' 89' ' ' THR . 4.6 t80 -89.74 23.04 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.766 -0.457 . . . . 1.8 109.766 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.594 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 3.7 p80 -45.74 20.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 117.029 2.233 . . . . 3.26 117.029 -174.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 87' ' ' TYR . 4.5 t -62.98 -33.69 75.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 118.738 0.699 . . . . 1.26 112.865 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.532 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 27.3 t60 -140.78 -6.74 1.11 Allowed 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.052 -0.405 . . . . 3.47 111.591 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 61.4 mttp -99.34 19.21 15.91 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.645 -0.502 . . . . 3.47 109.645 172.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.594 ' CB ' ' HB2' ' A' ' 88' ' ' HIS . 6.1 tm-20 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.264 -0.874 . . . . 7.09 109.153 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.477 ' SD ' ' HG2' ' A' ' 17' ' ' GLN . 95.5 mmm . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.869 -0.419 . . . . 6.42 109.869 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 40' ' ' GLU . 86.6 m -112.51 106.06 14.43 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.049 0.452 . . . . 4.26 109.912 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -114.47 -5.19 12.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.704 0.764 . . . . 6.04 109.861 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 47.3 tp -133.67 153.1 51.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.18 -1.044 . . . . 4.5 108.18 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.534 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 0.0 OUTLIER -79.02 37.9 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.085 0.402 . . . . 3.1 112.085 -173.398 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.45 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 34.8 mt-10 -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.444 0.64 . . . . 2.51 110.483 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.54 -58.56 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.815 -0.63 . . . . 2.16 110.489 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.866 HD13 ' HB1' ' A' ' 81' ' ' ALA . 82.3 mt -63.98 -59.96 3.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.34 111.509 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -68.6 -24.87 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 2.41 109.64 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.603 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.95 -43.32 97.63 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.793 -0.718 . . . . 0.44 112.41 174.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.27 -46.04 91.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 1.16 109.819 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' A' ' 86' ' ' HIS . 4.1 t -51.05 -42.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.297 -0.865 . . . . 0.57 111.495 171.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -67.32 -34.84 78.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.637 -0.71 . . . . 1.42 111.048 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.603 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.5 mm -67.97 -41.12 84.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-O 120.816 0.341 . . . . 2.06 110.235 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' B' ' 74' ' ' PHE . 22.3 m-85 -58.63 -49.94 75.65 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.035 -0.728 . . . . 2.58 109.035 173.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.64 -21.57 64.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.079 -0.964 . . . . 2.23 111.119 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.455 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 53.2 tp60 -71.06 -56.17 6.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.565 -0.289 . . . . 2.77 111.513 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' B' ' 32' ' ' GLU . 36.3 t80 -84.83 -53.03 5.6 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 119.279 -0.969 . . . . 6.25 110.64 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p -89.1 111.16 21.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.064 0.459 . . . . 3.02 110.033 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.76 -179.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.013 -0.54 . . . . 4.12 110.891 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -64.29 155.56 31.74 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.028 -0.269 . . . . 7.28 110.536 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.488 ' HE2' ' OD2' ' B' ' 26' ' ' ASP . 55.7 mtpt -67.08 -88.93 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.325 -0.398 . . . . 8.71 111.579 -172.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.69 -73.88 0.61 Allowed Glycine 0 C--O 1.228 -0.22 0 C-N-CA 120.941 -0.647 . . . . 5.68 112.271 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -129.42 153.95 47.42 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.038 -0.727 . . . . 8.27 109.038 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 56.97 63.43 1.93 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.567 0.699 . . . . 7.5 109.49 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.488 ' OD2' ' HE2' ' B' ' 22' ' ' LYS . 6.4 m-20 -74.65 84.88 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.073 -0.967 . . . . 5.62 110.936 -174.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.1 t -165.91 115.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.367 0.604 . . . . 3.95 111.206 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' B' ' 69' ' ' VAL . 2.1 mm? -101.46 121.17 41.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.0 -1.111 . . . . 2.91 108.0 172.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -104.69 -172.88 2.18 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.776 0.658 . . . . 1.35 112.776 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.511 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 2.1 ttmp? -66.85 -35.86 81.0 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.29 -0.414 . . . . 1.32 111.119 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.12 87.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.31 -0.471 . . . . 0.4 113.166 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.432 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 32.7 mt-10 -66.36 -39.7 89.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 2.43 110.713 -178.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.8 tp -62.28 -46.15 90.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.429 -0.805 . . . . 0.52 109.675 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 59.7 tttm -56.0 -45.48 79.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.357 -0.838 . . . . 1.87 111.556 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.622 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.0 mp0 -57.43 -61.51 2.44 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.277 -0.268 . . . . 2.45 110.277 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.3 tt -49.2 -43.54 42.41 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.812 0.695 . . . . 0.45 111.027 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 90.3 mt -68.5 -50.9 48.82 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 112.276 0.473 . . . . 0.45 112.276 -177.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.512 HG22 ' HA ' ' B' ' 49' ' ' LYS . 28.7 p -65.78 -28.97 69.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.373 -0.376 . . . . 1.23 111.766 -175.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 17.9 ptmt -97.17 -40.07 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.6 0.592 . . . . 1.62 112.6 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 2' ' ' THR . 9.8 mm-40 -92.74 -46.39 7.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.928 0.394 . . . . 1.67 111.6 -170.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 8' ' ' LEU . 17.7 mt -102.82 23.23 12.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.218 0.532 . . . . 1.42 109.818 -174.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.543 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -56.21 -30.35 62.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.817 -1.083 . . . . 0.78 111.937 -178.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -111.05 24.83 12.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.92 -0.582 . . . . 2.16 110.74 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 12.3 m -120.23 -66.16 1.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.279 0.561 . . . . 0.66 110.502 177.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 46.6 mt -83.65 137.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.119 -0.946 . . . . 0.6 110.499 -173.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -58.89 127.26 31.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.538 -0.301 . . . . 1.61 110.674 -179.159 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.435 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 3.9 m-20 48.74 39.54 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.56 -0.746 . . . . 1.48 110.837 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -63.25 -8.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 122.284 1.04 . . . . 0.56 110.023 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.512 ' HA ' HG22 ' B' ' 38' ' ' THR . 14.0 mmmm -82.46 -12.07 58.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.32 -1.309 . . . . 1.11 109.959 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.68 133.54 35.07 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.492 0.663 . . . . 1.59 110.639 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.511 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -62.36 -27.24 68.93 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.591 -1.186 . . . . 0.92 110.68 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.96 74.24 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.603 0.716 . . . . 0.67 109.484 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.522 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.4 t -76.83 -42.24 33.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.652 -1.158 . . . . 0.6 109.405 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.425 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.6 mt -61.81 -39.72 84.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 0.42 111.148 174.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 16.5 t70 -60.59 -54.28 47.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.512 -0.767 . . . . 1.53 109.456 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -45.64 -45.93 14.28 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.291 -0.868 . . . . 1.77 111.461 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 53' ' ' VAL . 52.3 mt -69.48 -57.47 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.066 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.492 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 91.6 t80 -55.84 -44.65 78.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.951 -0.568 . . . . 1.67 110.999 -176.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.1 mm-40 -62.05 -28.97 69.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.777 -0.647 . . . . 1.91 110.105 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.91 -22.47 74.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.53 113.081 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -97.04 -41.45 8.36 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 117.301 0.551 . . . . 0.59 109.791 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.23 76.51 0.09 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.962 0.887 . . . . 1.4 110.762 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.53 -16.31 54.55 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.899 -1.046 . . . . 1.31 109.38 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.36 -20.25 61.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.864 -1.062 . . . . 2.8 110.043 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 59.81 34.39 21.86 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.635 -1.166 . . . . 2.72 111.558 173.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -135.39 16.85 3.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.694 0.759 . . . . 2.14 109.642 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 35.4 tt0 60.92 53.02 3.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.67 -1.15 . . . . 2.01 110.045 -174.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -134.71 116.44 14.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.46 -0.791 . . . . 2.16 109.786 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' B' ' 28' ' ' LEU . 4.7 p -103.36 108.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.515 0.674 . . . . 1.81 110.44 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.07 167.8 21.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.794 -0.639 . . . . 2.02 109.417 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 2.18 110.918 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.604 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 51.7 tt0 -70.81 -35.27 72.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 1.67 110.378 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 35.1 mt-10 -80.52 -29.96 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.936 -0.575 . . . . 1.99 110.039 178.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 22.7 m-85 -62.42 -27.58 69.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.417 0.627 . . . . 1.92 109.488 166.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -68.38 -40.36 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.334 -0.848 . . . . 0.67 109.398 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.604 ' O ' HD13 ' B' ' 80' ' ' ILE . 50.7 m -59.81 -36.13 76.12 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.545 -0.752 . . . . 0.74 109.927 173.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 7.0 tp -57.45 -46.44 83.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.827 0.346 . . . . 1.14 110.731 176.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 10.0 t -67.26 -25.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.152 -0.476 . . . . 0.33 109.881 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.8 -49.18 77.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.283 0.564 . . . . 0.43 109.513 172.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.604 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -61.97 -37.54 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.13 -0.941 . . . . 0.4 110.498 176.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.816 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.06 -38.39 52.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.605 . . . . 0.28 112.348 -174.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.9 mt -69.24 -36.08 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.761 . . . . 0.33 109.143 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.493 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -59.59 -38.5 81.4 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.683 -1.144 . . . . 1.67 109.86 172.014 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.414 ' HA ' ' HB2' ' B' ' 91' ' ' LYS . . . -70.85 -23.16 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.287 -0.869 . . . . 0.48 111.742 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.586 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.11 -58.74 2.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.438 -0.346 . . . . 0.57 111.472 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.621 ' HB2' HG13 ' A' ' 12' ' ' VAL . 71.9 t60 -86.32 -50.25 7.07 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.278 0.473 . . . . 2.68 112.278 -174.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.538 ' O ' HG22 ' B' ' 89' ' ' THR . 4.5 t80 -89.87 23.13 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 1.8 109.811 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.601 ' HB2' ' CB ' ' B' ' 92' ' ' GLU . 3.7 p80 -45.97 20.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.912 2.19 . . . . 3.27 116.912 -174.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.538 HG22 ' O ' ' B' ' 87' ' ' TYR . 4.3 t -62.61 -34.53 77.2 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.756 0.707 . . . . 1.27 112.841 -177.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 27.1 t60 -140.12 -6.83 1.22 Allowed 'General case' 0 N--CA 1.47 0.526 0 O-C-N 122.003 -0.436 . . . . 3.47 111.571 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' B' ' 45' ' ' ILE . 61.4 mttp -99.15 18.93 16.24 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.658 -0.497 . . . . 3.47 109.658 172.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.601 ' CB ' ' HB2' ' B' ' 88' ' ' HIS . 6.0 tm-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.517 -0.754 . . . . 7.08 109.196 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.557 0.218 . . . . 6.42 110.752 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -153.46 68.26 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.793 0.806 . . . . 4.25 110.553 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -112.87 16.44 19.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 6.05 109.673 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp 66.36 -177.56 0.19 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.938 -1.028 . . . . 4.5 111.77 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.455 ' CD ' ' HB3' ' B' ' 43' ' ' ASN . 3.9 mp0 -83.94 11.08 8.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.16 -0.927 . . . . 3.1 108.912 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 38.7 tt0 -61.2 -18.57 58.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.306 -1.315 . . . . 2.51 111.849 -174.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.464 ' HA ' ' HA ' ' B' ' 7' ' ' HIS . 78.8 m-70 -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.403 -0.592 . . . . 2.16 109.403 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.828 HD13 ' HB1' ' B' ' 81' ' ' ALA . 41.6 mt -65.03 -59.74 3.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.897 -1.047 . . . . 0.34 111.249 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.07 -21.95 66.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 2.41 110.569 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.68 -35.76 74.5 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.724 -0.75 . . . . 0.44 112.149 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.87 -38.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.942 0.877 . . . . 1.16 109.582 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 85' ' ' ALA . 99.0 t -69.3 -41.48 81.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.888 -1.051 . . . . 0.57 111.774 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -80.04 -19.29 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.065 0.395 . . . . 1.42 112.065 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 pt -79.52 -31.68 14.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.082 -0.647 . . . . 2.06 110.26 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.21 -43.68 73.63 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.529 -0.915 . . . . 2.57 108.529 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.403 ' CE1' ' H ' ' A' ' 22' ' ' LYS . 3.2 t-160 -57.86 -32.52 67.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.752 -1.113 . . . . 2.23 110.17 174.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.88 -53.72 19.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.585 -0.734 . . . . 2.77 112.148 -174.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -85.22 -44.06 13.24 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.087 -0.645 . . . . 6.25 111.663 -175.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.3 m -65.45 -73.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.055 0.391 . . . . 3.01 112.055 -174.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 24' ' ' HIS . 9.3 p -178.12 166.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 110.377 -0.231 . . . . 4.13 110.377 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' N ' HG22 ' A' ' 20' ' ' VAL . 4.9 ptp180 -56.59 118.21 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.031 0.443 . . . . 7.28 110.912 175.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 13.6 mmmm 67.0 -68.54 0.15 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.239 -0.891 . . . . 8.7 111.806 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.23 160.61 10.7 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.043 -0.598 . . . . 5.67 112.029 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.504 ' CD2' HG11 ' A' ' 20' ' ' VAL . 3.4 m170 -103.09 -178.47 3.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.549 0.214 . . . . 8.27 110.461 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -93.19 -63.68 1.18 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.994 0.426 . . . . 7.5 110.525 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -99.09 -19.97 16.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 5.62 110.848 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -78.72 75.68 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 3.94 110.592 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 70' ' ' ASP . 78.1 mt -145.88 64.44 1.23 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.669 -0.696 . . . . 2.91 109.188 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 m -103.58 -172.7 2.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.844 0.683 . . . . 1.35 112.844 -170.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 25.0 ttmt -75.64 -24.94 56.49 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.32 111.503 -174.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.09 -58.55 13.99 Favored Glycine 0 C--N 1.327 0.075 0 C-N-CA 121.035 -0.602 . . . . 0.4 113.117 -176.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -63.28 -38.32 90.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.002 0.429 . . . . 2.44 111.22 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.631 HD11 HD13 ' A' ' 77' ' ' LEU . 16.5 tp -55.06 -50.08 70.01 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.215 -0.902 . . . . 0.52 109.421 175.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 60.7 tttm -56.05 -46.83 78.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.663 -1.153 . . . . 1.87 111.437 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.2 mp0 -56.4 -60.21 3.85 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 110.201 -0.296 . . . . 2.46 110.201 174.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -48.97 -50.59 34.93 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.762 0.664 . . . . 0.45 110.743 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.65 HD21 HD11 ' A' ' 77' ' ' LEU . 95.1 mt -60.28 -50.06 75.15 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.357 0.503 . . . . 0.45 112.357 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 49' ' ' LYS . 50.8 p -70.34 -27.75 64.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.071 0.397 . . . . 1.23 112.071 -174.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -97.62 -31.3 12.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.699 0.629 . . . . 1.61 112.699 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -101.07 -39.54 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 1.67 111.289 -172.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.81 20.95 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.744 -0.465 . . . . 1.42 109.744 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.8 -30.88 35.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.065 -0.97 . . . . 0.78 112.706 -176.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.468 ' HB3' ' CD ' ' B' ' 5' ' ' GLU . 65.5 t30 -115.68 26.09 10.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.033 0.444 . . . . 2.16 111.395 -173.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -118.87 -64.19 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.283 0.564 . . . . 0.66 110.345 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 44.7 mt -81.58 132.45 31.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.302 -0.863 . . . . 0.6 110.009 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 1.9 pptp? -54.85 124.26 16.03 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.814 0.34 . . . . 1.61 110.604 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 48.82 43.74 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.295 -0.866 . . . . 1.48 111.568 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -61.93 -9.17 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.993 0.902 . . . . 0.55 110.2 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.5 OUTLIER -79.14 -13.21 59.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.959 -1.018 . . . . 1.11 110.049 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.34 127.78 35.19 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.652 -0.704 . . . . 1.58 111.129 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 21.4 tptp -64.1 -24.96 67.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.765 -1.107 . . . . 0.92 110.699 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.97 63.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.466 -0.568 . . . . 0.67 109.466 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.3 t -73.31 -44.54 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.144 -0.935 . . . . 0.6 108.994 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 73.0 mt -64.35 -37.41 79.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.859 -1.064 . . . . 0.42 111.365 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.63 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -63.37 -43.99 96.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.143 -0.688 . . . . 1.53 109.143 -178.357 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -53.99 -45.56 71.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.625 -1.171 . . . . 1.77 111.185 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.614 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 43.0 mt -68.71 -56.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.413 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 2.6 t80 -48.88 -47.41 43.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.342 -0.845 . . . . 1.68 111.159 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -64.6 -31.84 73.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.983 -0.553 . . . . 1.92 110.93 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.93 -22.33 78.79 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.873 -0.68 . . . . 0.53 112.351 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -96.69 -44.64 7.02 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.675 -0.491 . . . . 0.58 109.675 179.119 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -79.45 79.14 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.461 0.648 . . . . 1.4 109.959 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.66 70.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.033 -0.985 . . . . 1.3 111.463 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.38 -18.87 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.185 0.516 . . . . 2.8 111.034 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 63.98 52.26 2.11 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.985 -1.007 . . . . 2.72 111.817 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -108.48 8.76 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.108 0.48 . . . . 2.13 110.234 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 tt0 64.52 43.21 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.969 -1.014 . . . . 2.02 109.865 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 96.6 mt-30 -138.77 116.65 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.103 -0.953 . . . . 2.16 110.136 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -106.77 107.92 23.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.194 175.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.419 ' HA ' HD13 ' A' ' 28' ' ' LEU . 30.7 t70 -71.25 168.22 17.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.072 -0.513 . . . . 2.02 110.406 177.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.14 -31.15 66.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 2.17 110.934 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.2 tt0 -74.14 -36.33 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.365 0.603 . . . . 1.66 110.69 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -76.28 -29.01 57.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.493 0.663 . . . . 1.99 109.853 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' VAL . 45.3 t80 -70.59 -23.86 62.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.597 -0.729 . . . . 1.92 109.178 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.504 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.77 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.25 -0.886 . . . . 0.67 109.668 175.275 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.6 p -69.3 -24.21 63.91 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.21 -0.45 . . . . 0.74 110.453 174.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.65 HD11 HD21 ' A' ' 37' ' ' LEU . 8.1 tt -65.68 -41.73 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.425 -0.583 . . . . 1.15 109.425 174.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -64.31 -28.14 44.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 115.71 -0.677 . . . . 0.33 109.445 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.75 -51.93 67.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.125 0.488 . . . . 0.43 109.963 174.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.81 -37.63 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.507 -0.769 . . . . 0.4 110.275 175.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.808 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.27 -34.52 59.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.631 -0.713 . . . . 0.28 112.242 -176.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 97.3 mt -72.02 -34.54 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.447 0.641 . . . . 0.33 109.441 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -68.64 -30.58 69.32 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.268 -0.878 . . . . 1.67 109.976 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 81' ' ' ALA . . . -63.02 -39.5 94.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.998 0.427 . . . . 0.48 110.634 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -70.51 -55.39 9.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.747 -0.661 . . . . 0.57 112.162 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 83' ' ' LYS . 18.9 p-80 -86.11 -39.88 16.27 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.989 0.423 . . . . 2.68 111.82 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.549 ' HB3' ' O ' ' A' ' 83' ' ' LYS . 35.9 t80 -89.82 22.64 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.535 0.734 . . . . 1.8 109.786 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 92' ' ' GLU . 4.1 p-80 -46.34 20.47 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.238 1.94 . . . . 3.26 116.238 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.506 ' H ' ' C ' ' A' ' 87' ' ' TYR . 9.7 t -87.38 -8.85 56.13 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.368 -0.833 . . . . 1.26 111.259 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.59 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.2 t60 -160.73 -24.8 0.06 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.561 0.208 . . . . 3.47 111.561 -177.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -92.73 10.73 29.52 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.22 -0.592 . . . . 3.47 109.948 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.42 ' CA ' ' HB3' ' A' ' 46' ' ' LYS . 2.1 tm-20 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.119 -0.946 . . . . 7.09 108.587 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.6 ttm . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.411 0.148 . . . . 6.42 110.817 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.4 t -153.98 68.42 0.76 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.936 0.874 . . . . 4.26 110.473 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -113.0 16.31 19.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.863 -0.608 . . . . 6.04 109.698 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp 66.52 -177.61 0.2 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.063 -0.971 . . . . 4.5 111.783 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.468 ' CD ' ' HB3' ' A' ' 43' ' ' ASN . 3.9 mp0 -83.76 10.73 8.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.205 -0.907 . . . . 3.1 109.029 177.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.484 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 38.1 tt0 -60.93 -18.67 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.259 -1.337 . . . . 2.51 111.774 -174.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 79.0 m-70 -66.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.327 -0.62 . . . . 2.16 109.327 175.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.808 HD13 ' HB1' ' A' ' 81' ' ' ALA . 41.1 mt -64.89 -59.75 3.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.878 -1.055 . . . . 0.34 111.285 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.13 -21.68 66.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 2.41 110.749 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -69.91 -35.76 72.79 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.89 -0.671 . . . . 0.44 112.166 176.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.9 mm -66.93 -38.41 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.955 0.883 . . . . 1.16 109.549 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 85' ' ' ALA . 97.2 t -69.34 -41.37 80.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.882 -1.054 . . . . 0.57 111.802 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -80.08 -19.3 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.138 0.421 . . . . 1.42 112.138 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 pt -79.59 -31.81 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 119.978 -0.689 . . . . 2.06 110.137 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -69.11 -43.65 74.01 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 108.571 -0.899 . . . . 2.58 108.571 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.407 ' CE1' ' H ' ' B' ' 22' ' ' LYS . 3.2 t-160 -57.9 -32.65 67.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.74 -1.118 . . . . 2.23 110.055 174.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -69.07 -53.16 21.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.675 -0.693 . . . . 2.77 112.304 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -85.37 -44.18 13.02 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.038 -0.665 . . . . 6.25 111.689 -175.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m -65.25 -73.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.09 0.404 . . . . 3.02 112.09 -174.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' B' ' 24' ' ' HIS . 9.4 p -177.72 166.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 110.337 -0.246 . . . . 4.12 110.337 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.411 ' N ' HG22 ' B' ' 20' ' ' VAL . 4.8 ptp180 -56.46 117.85 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 7.28 110.906 175.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.407 ' H ' ' CE1' ' B' ' 16' ' ' HIS . 13.5 mmmm 67.43 -68.98 0.14 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.346 -0.843 . . . . 8.71 111.8 -176.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.87 160.47 10.72 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.997 -0.62 . . . . 5.68 112.061 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.499 ' CD2' HG11 ' B' ' 20' ' ' VAL . 3.3 m170 -102.82 -178.18 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.493 -0.188 . . . . 8.27 110.493 176.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -93.41 -63.94 1.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.99 0.424 . . . . 7.5 110.485 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -98.47 -20.43 17.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.06 -0.518 . . . . 5.62 110.951 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -78.46 76.16 4.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 3.95 110.508 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' B' ' 68' ' ' GLN . 77.9 mt -146.35 64.42 1.2 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.076 -0.712 . . . . 2.91 109.076 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.1 m -103.46 -172.69 2.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.845 0.683 . . . . 1.35 112.845 -170.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 24.8 ttmt -75.69 -24.81 56.31 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.992 -0.549 . . . . 1.32 111.555 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -58.38 14.88 Favored Glycine 0 N--CA 1.454 -0.117 0 C-N-CA 120.929 -0.653 . . . . 0.4 113.137 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.21 -38.41 91.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.991 0.424 . . . . 2.43 111.178 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 16.5 tp -55.09 -49.97 70.36 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.145 -0.934 . . . . 0.52 109.421 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 61.0 tttm -56.17 -46.9 79.16 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.65 -1.159 . . . . 1.87 111.365 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 1.3 mp0 -56.37 -59.95 4.22 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 110.215 -0.291 . . . . 2.45 110.215 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.15 -50.53 37.18 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 123.746 0.654 . . . . 0.45 110.827 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.647 HD21 HD11 ' B' ' 77' ' ' LEU . 94.8 mt -60.41 -49.76 76.28 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.042 -0.526 . . . . 0.45 112.344 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.599 HG22 ' HA ' ' B' ' 49' ' ' LYS . 46.4 p -70.43 -27.86 64.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.062 0.393 . . . . 1.23 112.062 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.3 ptmm? -97.72 -31.32 12.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.58 0.585 . . . . 1.62 112.58 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -101.07 -39.61 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 1.67 111.246 -172.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.52 20.51 18.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.801 -0.444 . . . . 1.42 109.801 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.84 -30.36 33.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.096 -0.956 . . . . 0.78 112.766 -176.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.455 ' HB3' ' CD ' ' A' ' 5' ' ' GLU . 65.6 t30 -115.92 26.19 10.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.979 0.418 . . . . 2.16 111.371 -173.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.403 HG21 ' CD1' ' A' ' 8' ' ' LEU . 2.9 m -118.87 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.236 0.541 . . . . 0.66 110.358 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 44.4 mt -81.44 132.45 31.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.367 -0.833 . . . . 0.6 109.97 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 1.9 pptp? -54.81 124.28 16.03 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 120.79 0.328 . . . . 1.61 110.67 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 48.84 43.7 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.306 -0.861 . . . . 1.48 111.525 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -62.01 -9.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.939 0.876 . . . . 0.56 110.206 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.599 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.5 OUTLIER -79.3 -13.01 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.9 -1.045 . . . . 1.11 109.95 178.074 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.39 128.02 35.2 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.646 -0.706 . . . . 1.59 111.122 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 21.6 tptp -64.48 -24.9 67.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.804 -1.089 . . . . 0.92 110.629 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -32.86 63.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 0.67 109.503 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.516 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -73.41 -44.39 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.182 -0.917 . . . . 0.6 109.079 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.43 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 73.5 mt -64.38 -37.56 80.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.9 -1.046 . . . . 0.42 111.398 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.633 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.3 OUTLIER -63.12 -44.17 96.36 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.27 -0.641 . . . . 1.53 109.27 -178.459 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -53.86 -45.36 70.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.658 -1.156 . . . . 1.77 111.297 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 41.9 mt -68.85 -56.95 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.546 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 2.6 t80 -49.06 -47.26 45.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.343 -0.844 . . . . 1.67 111.113 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.79 -31.49 72.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.021 -0.536 . . . . 1.91 111.064 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.18 -22.34 78.89 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.865 -0.683 . . . . 0.53 112.304 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.2 OUTLIER -96.84 -44.45 7.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.715 -0.476 . . . . 0.59 109.715 179.184 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -79.48 79.02 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.609 0.719 . . . . 1.4 109.96 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.65 70.32 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 1.31 111.467 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.58 -18.34 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.171 0.51 . . . . 2.8 111.082 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 63.45 52.79 2.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 114.939 -1.028 . . . . 2.72 111.756 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -109.06 8.76 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.167 0.508 . . . . 2.14 110.243 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.567 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 23.1 tt0 64.99 42.76 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 2.01 109.845 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 28' ' ' LEU . 96.7 mt-30 -138.36 116.77 11.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.224 -0.898 . . . . 2.16 110.095 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.6 t -106.73 107.94 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.901 -0.59 . . . . 1.81 110.182 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.405 ' HA ' HD13 ' B' ' 28' ' ' LEU . 31.0 t70 -70.9 168.1 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 2.02 110.4 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -58.21 -31.14 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.879 0.371 . . . . 2.18 110.967 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.508 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.1 tt0 -74.08 -36.37 64.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.461 0.648 . . . . 1.67 110.719 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.27 -29.14 57.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.501 0.667 . . . . 1.99 109.808 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' B' ' 78' ' ' VAL . 45.3 t80 -70.51 -23.89 62.73 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.53 -0.759 . . . . 1.92 109.176 171.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.8 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.246 -0.888 . . . . 0.67 109.556 175.481 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.59 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 1.5 p -69.54 -24.03 63.67 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.121 -0.49 . . . . 0.74 110.323 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.647 HD11 HD21 ' B' ' 37' ' ' LEU . 8.1 tt -65.74 -41.66 91.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.446 -0.576 . . . . 1.14 109.446 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.4 t -64.48 -28.16 44.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 115.625 -0.716 . . . . 0.33 109.36 176.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.77 -51.82 67.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.127 0.489 . . . . 0.43 110.043 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.537 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.81 -37.66 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.472 -0.785 . . . . 0.4 110.267 175.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.828 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.18 -34.58 59.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.692 -0.686 . . . . 0.28 112.265 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 97.4 mt -72.0 -34.53 68.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.433 0.635 . . . . 0.33 109.507 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -68.69 -30.55 69.24 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.151 -0.931 . . . . 1.67 109.953 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 81' ' ' ALA . . . -63.04 -39.48 94.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.119 0.485 . . . . 0.48 110.66 175.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -70.42 -55.47 8.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.748 -0.66 . . . . 0.57 112.196 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' B' ' 83' ' ' LYS . 18.7 p-80 -86.06 -40.2 15.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.995 0.426 . . . . 2.68 111.779 -174.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' B' ' 83' ' ' LYS . 35.2 t80 -89.49 22.7 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.511 0.724 . . . . 1.8 109.917 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.402 ' HB2' ' HB3' ' B' ' 92' ' ' GLU . 4.0 p-80 -46.48 20.54 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.274 1.953 . . . . 3.27 116.274 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 87' ' ' TYR . 9.0 t -87.4 -8.62 56.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 121.494 -0.754 . . . . 1.27 111.272 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.595 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 18.6 t60 -161.06 -24.49 0.06 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.608 0.225 . . . . 3.47 111.608 -177.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.91 10.45 31.1 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.386 -0.525 . . . . 3.47 109.956 174.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.42 ' CA ' ' HB3' ' B' ' 46' ' ' LYS . 1.8 tm-20 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.173 -0.918 . . . . 7.08 108.548 174.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.013 -0.366 . . . . 6.42 110.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.2 m -64.05 109.24 1.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.055 0.455 . . . . 4.25 110.677 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -96.45 -56.96 2.44 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.807 -0.812 . . . . 6.05 108.807 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -99.46 127.08 45.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.358 -0.979 . . . . 4.5 108.358 172.681 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.533 ' OE1' ' HB2' ' A' ' 7' ' ' HIS . 0.5 OUTLIER -64.81 124.09 21.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.297 0.57 . . . . 3.1 110.71 -171.256 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.65 -27.82 37.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.47 -0.786 . . . . 2.51 111.259 -172.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.534 ' O ' HG13 ' A' ' 11' ' ' ILE . 47.7 m80 -80.02 -50.61 10.13 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.875 -0.417 . . . . 2.16 109.875 -175.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.868 HD13 ' HB1' ' B' ' 81' ' ' ALA . 75.0 mt -53.39 -60.82 2.81 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.483 0.659 . . . . 0.34 111.529 176.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -67.37 -22.43 65.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.065 -0.97 . . . . 2.41 110.417 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.597 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -72.03 -39.0 59.49 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.714 -0.676 . . . . 0.44 111.844 175.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 7' ' ' HIS . 80.4 mt -66.65 -44.8 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.726 -0.472 . . . . 1.16 109.726 177.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.694 HG21 ' HB3' ' B' ' 85' ' ' ALA . 39.4 t -50.05 -44.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.592 -0.731 . . . . 0.57 111.026 169.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -63.89 -42.56 97.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 1.42 111.071 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.1 mm -65.66 -36.44 77.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 121.008 0.432 . . . . 2.06 110.534 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -58.49 -32.13 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.944 -0.571 . . . . 2.57 110.317 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -85.62 -20.9 28.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 2.23 110.347 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 24.1 tp60 -79.6 -19.64 48.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 2.77 112.546 -171.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -49.07 -29.11 4.71 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.071 0.397 . . . . 6.25 112.071 -176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m 72.39 167.12 0.31 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.26 0.624 . . . . 3.01 111.494 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.5 t 60.03 62.57 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.646 0.736 . . . . 4.13 109.541 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -73.75 93.08 2.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.206 -0.906 . . . . 7.28 110.464 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -131.61 124.64 30.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.931 -0.577 . . . . 8.7 110.552 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.81 -170.48 36.58 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 111.235 -0.746 . . . . 5.67 111.235 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -91.39 -73.96 0.52 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.502 -0.555 . . . . 8.27 109.502 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -96.77 -61.99 1.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.646 -0.872 . . . . 7.5 108.646 173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -134.14 -49.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.93 -0.767 . . . . 5.62 108.93 170.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.0 m 73.09 -82.12 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.159 -0.928 . . . . 3.94 112.043 172.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 50.45 85.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.268 0.556 . . . . 2.91 111.164 -175.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -97.9 -171.71 2.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.428 -0.351 . . . . 1.35 111.062 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' CD ' ' HE3' ' A' ' 51' ' ' LYS . 24.8 ttmt -65.55 -25.78 67.58 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.77 -0.372 . . . . 1.32 110.679 -176.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -52.43 50.89 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 120.981 -0.628 . . . . 0.4 112.643 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.68 -42.76 81.6 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.105 0.479 . . . . 2.44 111.139 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 21.0 tp -64.17 -46.04 85.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.483 -0.78 . . . . 0.52 109.956 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HA ' HD13 ' A' ' 54' ' ' ILE . 15.4 tptp -52.76 -45.8 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 1.87 110.883 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.653 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 54.8 tt0 -59.02 -60.93 3.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.821 -0.627 . . . . 2.46 110.381 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.463 HD11 HG22 ' A' ' 14' ' ' ILE . 10.3 tt -53.91 -45.05 71.05 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.347 0.405 . . . . 0.45 111.384 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.0 mt -66.8 -50.32 63.0 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 112.417 0.525 . . . . 0.45 112.417 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.1 t -64.78 -28.94 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.23 111.322 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.05 -41.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.676 0.621 . . . . 1.61 112.676 -178.576 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 15.6 mm-40 -91.66 -39.15 12.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 1.67 111.481 -168.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.13 21.31 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.033 0.444 . . . . 1.42 110.04 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.404 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -50.28 -47.05 55.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.811 -1.086 . . . . 0.78 113.226 -172.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -108.68 29.35 7.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.307 0.575 . . . . 2.16 110.68 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.7 m -118.23 -56.24 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.66 110.499 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.5 mt -90.33 136.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.854 -0.612 . . . . 0.6 110.137 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HB3' ' C ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -57.12 125.8 24.32 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.499 -0.319 . . . . 1.61 110.887 -179.615 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.467 ' HB2' HG21 ' A' ' 53' ' ' VAL . 4.2 m-20 49.97 36.51 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 1.48 111.039 174.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.3 tp -63.35 -6.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 122.367 1.08 . . . . 0.55 109.985 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 47' ' ' ASN . 12.6 mmmm -85.4 -12.87 51.04 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.345 -1.298 . . . . 1.11 109.761 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -90.99 129.7 36.98 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.483 -0.78 . . . . 1.58 110.177 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.9 -21.2 66.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.002 -0.545 . . . . 0.92 110.562 176.672 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.87 -35.12 76.51 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.626 0.727 . . . . 0.67 109.129 175.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 25.1 t -81.08 -44.53 20.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.524 -1.216 . . . . 0.6 109.611 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 34' ' ' LYS . 38.9 mt -59.35 -32.48 48.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.448 -0.797 . . . . 0.42 110.582 174.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.03 -46.66 73.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.377 -0.829 . . . . 1.53 109.529 175.202 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 36.3 mm-40 -52.73 -45.23 66.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.14 -0.936 . . . . 1.77 111.061 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.58 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.22 -60.12 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.803 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.441 ' CE1' HG13 ' A' ' 69' ' ' VAL . 89.9 t80 -57.7 -44.75 86.08 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.569 -0.741 . . . . 1.68 110.994 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.03 -24.93 63.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 1.92 110.672 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.65 -25.16 76.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.584 -0.817 . . . . 0.53 111.828 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -97.12 -48.12 5.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.122 -0.696 . . . . 0.58 109.122 178.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.534 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 47.2 t0 -75.85 76.82 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.923 -1.035 . . . . 1.4 110.194 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.47 -19.18 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.423 -0.808 . . . . 1.3 110.597 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -81.57 -20.66 39.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.248 0.547 . . . . 2.8 110.295 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 62.44 33.81 15.93 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 114.927 -1.033 . . . . 2.72 111.439 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -102.37 2.04 36.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.32 0.581 . . . . 2.13 110.265 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 30.8 tt0 69.67 41.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 2.02 111.04 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -145.16 117.72 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.643 -0.708 . . . . 2.16 109.736 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG13 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -100.62 120.54 50.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.84 0.829 . . . . 1.81 111.392 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.3 174.1 8.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 2.02 110.587 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.13 -33.95 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 2.17 109.907 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 31.1 tt0 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.4 0.619 . . . . 1.66 110.836 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.534 ' OE1' ' HA ' ' A' ' 62' ' ' ASP . 38.5 mt-10 -71.98 -38.3 69.73 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.616 -0.72 . . . . 1.99 110.12 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.44 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 77.2 t80 -63.31 -30.94 71.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 1.92 109.974 171.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.8 mt -63.7 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.537 -0.756 . . . . 0.67 109.12 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.627 ' O ' HD13 ' A' ' 80' ' ' ILE . 49.9 m -66.31 -34.06 77.14 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.074 -0.966 . . . . 0.74 110.166 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.531 HD23 ' CG2' ' A' ' 57' ' ' ILE . 1.2 tm? -58.92 -45.42 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.426 -0.583 . . . . 1.15 109.426 175.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 15.9 t -65.83 -29.64 47.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.182 -0.463 . . . . 0.33 110.0 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.8 -51.1 70.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.054 -0.521 . . . . 0.43 109.975 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.11 -35.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.367 -0.833 . . . . 0.4 110.494 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.859 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -79.07 -34.52 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.755 -0.657 . . . . 0.28 112.377 -174.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.0 mt -70.33 -37.31 74.67 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.783 -0.821 . . . . 0.33 108.783 172.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.461 ' HD3' ' HB3' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -56.34 -37.83 70.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.301 -1.318 . . . . 1.67 109.639 170.778 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HA ' ' CB ' ' A' ' 91' ' ' LYS . . . -72.04 -31.46 66.19 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.208 -0.905 . . . . 0.48 112.578 -177.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.689 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.23 -55.92 4.07 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.764 -0.374 . . . . 0.57 111.679 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.532 ' HB2' HG22 ' B' ' 12' ' ' VAL . 44.0 t-80 -86.63 -44.22 12.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.719 -0.392 . . . . 2.68 111.809 -174.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.531 ' O ' HG22 ' A' ' 89' ' ' THR . 1.8 t80 -90.92 22.13 3.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.908 -0.404 . . . . 1.8 109.908 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.499 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 3.4 p80 -46.35 20.66 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 117.492 2.404 . . . . 3.26 117.492 -173.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 87' ' ' TYR . 2.0 t -62.89 -45.53 92.08 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.21 0.914 . . . . 1.26 112.346 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -144.12 21.26 1.75 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.331 0.586 . . . . 3.47 111.22 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.621 ' CB ' ' HA ' ' A' ' 84' ' ' ALA . 12.8 mmtp -106.67 4.33 27.72 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.067 -1.086 . . . . 3.47 108.067 168.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.499 ' CB ' ' HB2' ' A' ' 88' ' ' HIS . 31.7 tt0 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 114.885 -1.052 . . . . 7.09 109.45 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.037 -0.357 . . . . 6.42 110.037 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 32.3 m -64.02 109.57 1.85 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.087 -0.506 . . . . 4.26 110.501 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -96.78 -56.75 2.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.89 -0.781 . . . . 6.04 108.89 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.639 ' H ' HD23 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -99.84 126.79 46.0 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.466 -0.939 . . . . 4.5 108.466 172.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.527 ' OE1' ' HB2' ' B' ' 7' ' ' HIS . 0.5 OUTLIER -64.66 124.28 21.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.481 0.658 . . . . 3.1 110.739 -171.089 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.8 -27.55 36.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.279 -0.873 . . . . 2.51 111.274 -172.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.527 ' HB2' ' OE1' ' B' ' 5' ' ' GLU . 47.8 m80 -80.12 -50.63 10.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.86 -0.422 . . . . 2.16 109.86 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.859 HD13 ' HB1' ' A' ' 81' ' ' ALA . 76.4 mt -53.52 -60.85 2.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.414 0.626 . . . . 0.34 111.457 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -67.34 -22.6 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.054 -0.976 . . . . 2.41 110.304 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.596 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -71.85 -39.06 60.16 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.63 -0.714 . . . . 0.44 111.927 174.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 7' ' ' HIS . 80.2 mt -66.64 -44.83 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.81 -0.441 . . . . 1.16 109.81 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 85' ' ' ALA . 39.4 t -50.07 -44.73 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 0.57 110.938 169.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.94 -42.63 97.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.812 -0.631 . . . . 1.42 110.976 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.3 mm -65.47 -36.48 77.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.108 0.48 . . . . 2.06 110.642 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.77 -31.75 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.577 . . . . 2.58 110.314 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -85.74 -20.9 28.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.72 -0.673 . . . . 2.23 110.298 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.44 ' HB3' ' HA ' ' B' ' 14' ' ' ILE . 23.9 tp60 -79.93 -19.41 48.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 2.77 112.635 -171.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -49.03 -28.97 4.4 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.154 0.427 . . . . 6.25 112.154 -177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.3 m 72.15 166.96 0.31 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.293 0.637 . . . . 3.02 111.58 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 19.4 t 60.33 62.44 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.627 0.727 . . . . 4.12 109.414 -175.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -73.7 93.06 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.408 -0.815 . . . . 7.28 110.51 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -131.38 125.35 32.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.907 -0.588 . . . . 8.71 110.457 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.47 -170.29 36.82 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.196 -0.761 . . . . 5.68 111.196 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -91.81 -73.64 0.54 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.696 -0.483 . . . . 8.27 109.696 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -97.25 -61.61 1.37 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.557 -0.905 . . . . 7.5 108.557 173.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -134.29 -49.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.357 -0.838 . . . . 5.62 108.969 170.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.1 m 73.34 -81.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.037 -0.983 . . . . 3.95 112.036 172.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 28' ' ' LEU . 3.5 mm? 50.29 85.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.289 0.566 . . . . 2.91 111.188 -175.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -97.32 -171.68 2.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.382 -0.372 . . . . 1.35 111.146 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.485 ' CD ' ' HE3' ' B' ' 51' ' ' LYS . 25.0 ttmt -65.85 -25.52 67.24 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.71 -0.396 . . . . 1.32 110.728 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.08 -52.35 51.89 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.901 -0.666 . . . . 0.4 112.684 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.57 -42.87 81.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.163 -0.519 . . . . 2.43 111.146 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.545 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 21.1 tp -64.19 -45.82 86.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.436 -0.802 . . . . 0.52 109.948 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' B' ' 54' ' ' ILE . 15.3 tptp -53.01 -45.67 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.378 0.671 . . . . 1.87 110.767 176.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 54.5 tt0 -59.22 -60.94 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 2.45 110.25 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.465 HD11 HG22 ' B' ' 14' ' ' ILE . 10.3 tt -53.86 -44.93 70.77 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 123.405 0.441 . . . . 0.45 111.389 -177.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.9 mt -66.98 -50.25 62.87 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 112.415 0.524 . . . . 0.45 112.415 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 13.0 t -64.69 -29.12 70.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 1.23 111.257 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -96.96 -41.75 8.24 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.521 0.563 . . . . 1.62 112.521 -178.449 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.436 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 17.8 mm-40 -91.6 -39.12 12.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 1.67 111.441 -168.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -104.99 20.95 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.035 0.445 . . . . 1.42 110.092 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.23 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.843 -1.071 . . . . 0.78 113.17 -172.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.52 29.43 7.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.454 0.645 . . . . 2.16 110.677 -174.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.1 m -118.18 -56.74 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.023 0.44 . . . . 0.66 110.355 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.8 mt -89.78 136.51 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.935 -0.575 . . . . 0.6 110.103 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.463 ' HB3' ' C ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -57.2 125.95 25.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.488 -0.324 . . . . 1.61 110.924 -179.614 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.479 ' HB2' HG21 ' B' ' 53' ' ' VAL . 4.2 m-20 49.82 36.51 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.552 -0.749 . . . . 1.48 111.038 174.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.2 tp -63.22 -6.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 122.348 1.07 . . . . 0.56 109.803 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' B' ' 47' ' ' ASN . 12.6 mmmm -85.53 -12.72 51.01 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.342 -1.299 . . . . 1.11 109.63 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.03 129.54 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 1.59 110.093 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -64.75 -21.21 66.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.051 -0.522 . . . . 0.92 110.566 176.586 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.61 -35.28 77.11 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.59 0.709 . . . . 0.67 109.243 175.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' B' ' 47' ' ' ASN . 25.1 t -81.09 -44.53 20.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.415 -1.266 . . . . 0.6 109.6 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 34' ' ' LYS . 38.9 mt -59.39 -32.2 48.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.408 -0.814 . . . . 0.42 110.625 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -67.33 -46.57 73.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.39 -0.823 . . . . 1.53 109.527 175.178 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 34.7 mm-40 -52.92 -45.43 67.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.181 -0.918 . . . . 1.77 110.916 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.572 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.91 -60.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.807 176.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.441 ' CE1' HG13 ' B' ' 69' ' ' VAL . 90.1 t80 -57.67 -44.9 86.07 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.682 -0.69 . . . . 1.67 111.009 -172.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.98 -25.0 63.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.042 -0.527 . . . . 1.91 110.644 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.64 -25.34 75.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.772 -0.728 . . . . 0.53 111.841 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -96.87 -48.55 5.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.024 -0.732 . . . . 0.59 109.024 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.524 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 48.5 t0 -75.59 77.24 2.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.046 -0.979 . . . . 1.4 110.182 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -19.22 61.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.392 -0.822 . . . . 1.31 110.47 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -81.58 -20.51 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 2.8 110.271 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 62.35 33.77 16.17 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 114.9 -1.045 . . . . 2.72 111.379 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -102.4 2.08 36.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.302 0.572 . . . . 2.14 110.333 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 30.8 tt0 69.87 40.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.043 -0.981 . . . . 2.01 111.113 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -144.61 117.67 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.681 -0.691 . . . . 2.16 109.803 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.441 HG13 ' CE1' ' B' ' 58' ' ' PHE . 15.0 m -100.61 120.26 49.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.79 0.805 . . . . 1.81 111.412 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.1 174.13 8.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.11 -0.95 . . . . 2.02 110.536 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -58.16 -33.92 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.87 -0.419 . . . . 2.18 109.87 176.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.486 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 31.1 tt0 -66.84 -41.48 87.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.521 0.677 . . . . 1.67 110.824 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.524 ' OE1' ' HA ' ' B' ' 62' ' ' ASP . 39.0 mt-10 -72.02 -38.4 69.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.698 -0.683 . . . . 1.99 110.199 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 77.3 t80 -63.19 -30.99 72.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.302 0.572 . . . . 1.92 109.95 171.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.8 mt -63.73 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.718 . . . . 0.67 109.22 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.626 ' O ' HD13 ' B' ' 80' ' ' ILE . 50.4 m -66.24 -33.86 76.72 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.118 -0.946 . . . . 0.74 110.221 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.533 HD23 ' CG2' ' B' ' 57' ' ' ILE . 1.2 tm? -59.2 -45.25 91.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.45 -0.574 . . . . 1.14 109.45 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 15.8 t -65.83 -29.74 47.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.208 -0.451 . . . . 0.33 109.955 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.57 -51.2 70.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.164 0.507 . . . . 0.43 110.036 173.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.14 -35.4 61.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.35 -0.841 . . . . 0.4 110.439 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.868 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -79.09 -34.49 43.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.726 -0.67 . . . . 0.28 112.378 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 76.5 mt -70.47 -37.17 74.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.805 -0.813 . . . . 0.33 108.805 172.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.482 ' HD3' ' HB3' ' B' ' 87' ' ' TYR . 0.1 OUTLIER -56.36 -37.82 70.58 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.38 -1.282 . . . . 1.67 109.711 170.685 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.62 ' HA ' ' CB ' ' B' ' 91' ' ' LYS . . . -72.06 -31.76 66.44 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.173 -0.921 . . . . 0.48 112.495 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.694 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -82.99 -56.14 3.97 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.734 -0.387 . . . . 0.57 111.62 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.535 ' HB2' HG22 ' A' ' 12' ' ' VAL . 43.3 t-80 -86.31 -44.3 12.21 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.615 -0.434 . . . . 2.68 111.768 -174.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.529 ' O ' HG22 ' B' ' 89' ' ' THR . 1.8 t80 -90.94 22.32 3.71 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.944 -0.391 . . . . 1.8 109.944 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.503 ' HB2' ' CB ' ' B' ' 92' ' ' GLU . 3.4 p80 -46.46 20.76 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 117.488 2.403 . . . . 3.27 117.488 -173.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.529 HG22 ' O ' ' B' ' 87' ' ' TYR . 2.1 t -63.11 -45.61 91.19 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.17 0.896 . . . . 1.27 112.399 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -143.92 21.03 1.79 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.533 0.682 . . . . 3.47 111.221 175.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.62 ' CB ' ' HA ' ' B' ' 84' ' ' ALA . 12.8 mmtp -106.53 4.12 27.82 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.081 -1.081 . . . . 3.47 108.081 168.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.503 ' CB ' ' HB2' ' B' ' 88' ' ' HIS . 31.9 tt0 . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.059 -0.973 . . . . 7.08 109.488 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.725 -0.472 . . . . 6.42 109.725 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -120.77 -83.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.979 -0.288 . . . . 4.25 111.401 -177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 74.5 mmtt -123.17 -77.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.703 -0.226 . . . . 6.05 110.391 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 44.4 tp 162.99 -83.38 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.347 1.03 . . . . 4.5 109.381 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.64 -15.8 14.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.063 -0.517 . . . . 3.1 112.184 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 14.5 tp10 -45.17 -40.15 6.87 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.321 0.489 . . . . 2.51 112.321 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.3 m170 -68.63 -63.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.177 -0.327 . . . . 2.16 110.89 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.843 HD13 ' HB1' ' B' ' 81' ' ' ALA . 57.3 mt -68.2 -59.74 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 0.34 111.494 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -71.12 -20.97 62.26 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.489 -0.778 . . . . 2.41 110.125 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -72.13 -33.75 61.95 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.795 -0.716 . . . . 0.44 112.132 174.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.4 mt -70.53 -34.13 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.867 0.841 . . . . 1.16 109.575 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' B' ' 85' ' ' ALA . 70.0 t -72.65 -26.65 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.282 -0.872 . . . . 0.57 109.894 174.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.385 -0.825 . . . . 1.42 110.774 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.8 pt -63.96 -32.98 59.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.182 0.515 . . . . 2.06 110.169 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 90.6 t80 -57.86 -37.66 74.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.035 -0.984 . . . . 2.57 110.281 174.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -85.52 -19.85 30.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 2.23 111.568 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -62.87 -52.85 61.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.732 0.271 . . . . 2.77 111.732 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.623 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 41.4 p90 -73.87 -38.4 64.43 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.66 -0.816 . . . . 6.25 111.168 -175.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.5 m -161.83 -161.16 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.082 -0.34 . . . . 3.01 110.082 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t 74.93 80.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 121.526 0.679 . . . . 4.13 110.943 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -121.6 121.36 37.25 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.634 -0.876 . . . . 7.28 108.634 173.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -55.44 115.74 2.47 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.653 0.596 . . . . 8.7 111.418 -173.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.83 -90.41 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.535 -0.757 . . . . 5.67 111.582 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -128.9 112.86 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.48 0.181 . . . . 8.27 110.525 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 69.94 165.24 0.27 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.931 0.769 . . . . 7.5 112.063 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.34 -158.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.39 -0.823 . . . . 5.62 109.93 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 80.83 144.95 0.08 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.059 0.944 . . . . 3.94 110.685 -176.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mm? -123.37 153.46 40.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.002 -0.544 . . . . 2.91 109.772 -175.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 m -102.85 -179.29 3.92 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.524 -0.47 . . . . 1.35 110.573 177.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.2 ttmp? -61.34 -35.51 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.672 0.249 . . . . 1.32 111.672 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.45 -41.18 93.17 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.333 -0.46 . . . . 0.4 112.839 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.623 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 24.1 mm-40 -68.53 -41.91 79.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.385 0.612 . . . . 2.44 110.454 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.635 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.4 tp -64.19 -49.61 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.012 -0.995 . . . . 0.52 109.513 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 51.7 tttm -54.89 -41.52 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.331 -0.849 . . . . 1.87 111.185 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -54.9 -61.76 2.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.183 -0.462 . . . . 2.46 110.252 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -53.96 -46.25 71.58 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.099 0.476 . . . . 0.45 110.945 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -60.31 -51.11 70.9 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.831 -0.622 . . . . 0.45 112.357 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -67.58 -27.06 66.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.186 -0.461 . . . . 1.23 112.01 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -37.06 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.944 0.72 . . . . 1.61 112.944 -177.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' B' ' 1' ' ' MET . 14.7 mm-40 -96.25 -47.07 6.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.104 0.478 . . . . 1.67 111.119 -172.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 8' ' ' LEU . 13.9 mt -100.11 21.54 12.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.777 -0.647 . . . . 1.42 110.022 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.46 -30.82 42.71 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 114.996 -1.002 . . . . 0.78 112.78 -175.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -119.01 21.38 12.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.306 0.574 . . . . 2.16 110.722 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.542 HG21 HD12 ' B' ' 8' ' ' LEU . 20.9 m -111.44 -60.84 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.968 0.413 . . . . 0.66 110.242 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.487 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 64.4 mt -85.77 138.89 18.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.501 -0.772 . . . . 0.6 110.006 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' O ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -53.29 126.99 22.99 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.336 0.398 . . . . 1.61 110.606 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 44.05 42.34 4.75 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.831 0.707 . . . . 1.48 111.647 174.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.523 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 8.9 tp -62.7 -5.9 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 122.097 0.951 . . . . 0.55 110.697 -178.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.4 OUTLIER -86.0 -11.65 52.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.049 -0.978 . . . . 1.11 109.853 178.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 130.9 34.45 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.449 -0.796 . . . . 1.58 111.186 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 23.7 tptm -66.13 -27.07 67.75 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.987 -1.006 . . . . 0.92 110.231 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -72.22 -35.17 68.8 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.498 0.666 . . . . 0.67 109.357 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 46' ' ' LYS . 41.4 t -72.61 -43.82 61.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.843 -1.071 . . . . 0.6 109.296 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 51.7 mt -65.21 -35.32 75.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.766 -1.106 . . . . 0.42 110.979 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 17.6 t70 -61.36 -52.61 63.92 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.427 -0.953 . . . . 1.53 108.427 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 27.6 mm-40 -46.85 -47.93 21.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.749 -1.114 . . . . 1.77 111.617 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.9 mt -68.54 -59.85 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.197 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.497 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 75.7 t80 -55.03 -44.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.724 -0.671 . . . . 1.68 111.166 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.79 -28.16 68.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.773 -0.649 . . . . 1.92 110.38 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.86 -25.37 71.9 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.53 112.379 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.38 -39.86 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.446 -0.576 . . . . 0.58 109.446 178.658 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -76.46 67.01 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 1.4 110.001 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.2 60.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 1.3 110.734 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.76 -9.96 59.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 2.8 110.723 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 61.07 43.49 11.23 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.012 -0.994 . . . . 2.72 112.216 172.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.97 -3.9 28.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.292 -0.413 . . . . 2.13 110.601 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 3.9 tp10 65.64 30.79 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.194 -0.912 . . . . 2.02 108.647 -174.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.58 10.11 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.746 -1.116 . . . . 2.16 109.954 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.476 HG13 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -96.31 135.05 31.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.451 0.643 . . . . 1.81 110.814 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -96.24 -171.42 2.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 2.02 110.315 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.99 -40.29 97.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 2.17 110.927 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.478 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 46.1 tt0 -77.95 -32.06 51.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 1.66 111.11 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 76' ' ' SER . 3.7 mm-40 -69.05 -34.67 75.55 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.918 -0.771 . . . . 1.99 108.918 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 56.4 t80 -64.77 -29.34 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.398 -0.819 . . . . 1.92 109.872 172.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.543 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.0 OUTLIER -66.67 -37.86 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.585 -0.734 . . . . 0.67 109.289 174.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.62 ' O ' HD13 ' A' ' 80' ' ' ILE . 66.7 m -62.35 -37.31 85.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.474 -0.784 . . . . 0.74 109.942 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.626 HD22 HD11 ' A' ' 33' ' ' LEU . 7.4 tp -54.5 -46.98 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.118 0.485 . . . . 1.15 110.478 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.59 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.8 t -64.52 -30.7 50.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.455 -0.793 . . . . 0.33 109.965 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.76 -49.01 79.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.398 0.618 . . . . 0.43 109.937 174.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.75 -40.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.06 -0.973 . . . . 0.4 110.4 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.86 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.41 -33.41 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 0.28 112.326 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.8 mt -69.12 -34.04 74.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.907 -0.775 . . . . 0.33 108.907 173.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 7.9 mttt -73.67 -19.65 60.77 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.024 -0.989 . . . . 1.67 110.651 174.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 81' ' ' ALA . . . -72.04 -28.15 63.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.472 0.653 . . . . 0.48 109.528 172.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.619 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -82.84 -56.11 4.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.387 -0.824 . . . . 0.57 111.792 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.471 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 18.5 p80 -85.75 -44.6 12.37 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.48 -0.488 . . . . 2.68 112.129 -175.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 89' ' ' THR . 6.5 t80 -90.15 21.83 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.952 0.501 . . . . 1.8 109.745 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 4.0 p-80 -48.97 18.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.479 2.029 . . . . 3.26 116.479 -173.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' TYR . 3.8 t -68.58 -41.93 78.97 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.692 0.678 . . . . 1.26 111.276 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 64.8 m80 -140.7 16.31 2.33 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.034 0.445 . . . . 3.47 111.35 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 57.9 mttp -118.3 17.52 13.86 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.894 -0.78 . . . . 3.47 108.894 171.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 88' ' ' HIS . 3.2 tm-20 . . . . . 0 C--O 1.248 0.974 0 CA-C-N 114.998 -1.001 . . . . 7.09 108.922 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.427 ' HA ' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.701 -0.481 . . . . 6.42 109.701 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.411 ' HB ' ' H ' ' B' ' 3' ' ' LYS . 1.2 m -120.94 -83.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.609 0.243 . . . . 4.26 111.447 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' B' ' 4' ' ' LEU . 74.5 mmtt -123.36 -76.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.434 -0.21 . . . . 6.04 110.434 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' B' ' 3' ' ' LYS . 44.5 tp 162.89 -83.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.346 1.029 . . . . 4.5 109.278 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -15.59 14.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 3.1 112.228 -175.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.477 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 14.4 tp10 -45.32 -40.17 7.45 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.282 0.475 . . . . 2.51 112.282 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.468 ' O ' HG13 ' B' ' 11' ' ' ILE . 40.4 m170 -68.71 -63.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.968 -0.293 . . . . 2.16 110.851 -177.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.86 HD13 ' HB1' ' A' ' 81' ' ' ALA . 56.9 mt -68.36 -59.61 3.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.41 0.624 . . . . 0.34 111.487 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.12 -21.08 62.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.433 -0.803 . . . . 2.41 110.112 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.477 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -72.04 -33.72 62.25 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.44 112.199 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.3 mt -70.5 -34.1 56.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.883 0.849 . . . . 1.16 109.563 174.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 85' ' ' ALA . 70.9 t -72.88 -26.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.226 -0.897 . . . . 0.57 109.832 174.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 1.42 110.723 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 pt -63.78 -33.04 59.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.234 0.54 . . . . 2.06 110.199 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' B' ' 12' ' ' VAL . 90.6 t80 -57.92 -37.68 74.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.966 -1.015 . . . . 2.58 110.215 174.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -85.36 -19.83 30.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 2.23 111.587 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -62.85 -52.79 61.76 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.876 0.325 . . . . 2.77 111.876 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.62 ' CE1' ' HB3' ' B' ' 32' ' ' GLU . 41.7 p90 -74.01 -38.53 64.06 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.619 -0.833 . . . . 6.25 111.122 -175.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -161.64 -161.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 3.02 110.118 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t 74.86 80.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.547 0.689 . . . . 4.12 110.957 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -122.19 120.92 35.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.338 -0.846 . . . . 7.28 108.787 173.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -55.02 115.25 2.11 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.62 0.575 . . . . 8.71 111.673 -173.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.65 -91.07 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.359 -0.837 . . . . 5.68 111.589 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -127.98 112.5 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.822 -0.222 . . . . 8.27 110.657 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 70.14 164.98 0.27 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.541 0.686 . . . . 7.5 112.068 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.3 -157.95 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.427 -0.806 . . . . 5.62 110.017 -177.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 80.79 144.95 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.035 0.934 . . . . 3.95 110.728 -176.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.458 HD22 ' N ' ' B' ' 28' ' ' LEU . 2.6 mm? -123.46 153.32 40.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.591 . . . . 2.91 109.82 -175.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -102.76 -179.5 3.98 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.504 -0.478 . . . . 1.35 110.575 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.479 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.2 ttmp? -61.15 -35.63 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.723 0.268 . . . . 1.32 111.723 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.2 -41.09 92.62 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.259 -0.496 . . . . 0.4 113.018 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' CE1' ' B' ' 18' ' ' TYR . 26.5 mm-40 -68.76 -41.85 78.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.352 0.596 . . . . 2.43 110.38 -177.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.646 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 36.5 tp -64.05 -49.79 70.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.078 -0.964 . . . . 0.52 109.445 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.442 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 51.6 tttm -54.74 -41.38 70.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 1.87 111.231 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -55.02 -61.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.497 . . . . 2.45 110.261 175.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.404 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -53.91 -46.2 71.39 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.467 0.48 . . . . 0.45 110.879 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.2 mt -60.41 -51.1 70.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.881 -0.6 . . . . 0.45 112.276 -176.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.448 HG22 ' HA ' ' B' ' 49' ' ' LYS . 25.4 p -67.46 -27.12 66.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.197 -0.456 . . . . 1.23 112.049 -174.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 -36.7 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.922 0.712 . . . . 1.62 112.922 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.424 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 15.3 mm-40 -96.35 -47.17 6.11 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.124 0.488 . . . . 1.67 111.121 -172.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 8' ' ' LEU . 14.0 mt -100.13 21.45 12.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.781 -0.645 . . . . 1.42 109.979 -173.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.514 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.35 -31.04 42.62 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.032 -0.986 . . . . 0.78 112.8 -175.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -118.94 21.63 12.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.281 0.562 . . . . 2.16 110.625 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.548 HG21 HD12 ' A' ' 8' ' ' LEU . 20.8 m -111.65 -60.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 0.66 110.338 -179.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.486 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 64.0 mt -85.48 138.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.508 -0.769 . . . . 0.6 110.081 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.479 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -53.05 126.76 21.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 123.292 0.37 . . . . 1.61 110.656 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 44.2 42.59 5.18 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.999 0.812 . . . . 1.48 111.687 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.514 ' CG2' ' HA ' ' B' ' 42' ' ' ALA . 8.9 tp -63.11 -5.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 122.129 0.966 . . . . 0.56 110.662 -177.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.448 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.4 OUTLIER -86.03 -11.52 52.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.876 -1.056 . . . . 1.11 109.752 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.76 130.76 34.47 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.509 -0.768 . . . . 1.59 111.134 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -66.11 -26.88 67.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.99 -1.004 . . . . 0.92 110.225 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -72.63 -34.56 67.4 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.454 0.645 . . . . 0.67 109.413 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.479 HG11 ' O ' ' B' ' 46' ' ' LYS . 41.0 t -73.0 -43.86 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.895 -1.048 . . . . 0.6 109.211 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 51.5 mt -65.27 -35.4 75.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.624 -1.171 . . . . 0.42 110.924 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 18.4 t70 -61.13 -52.81 63.31 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.394 -0.965 . . . . 1.53 108.394 177.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 29.6 mm-40 -46.67 -47.98 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.645 -1.162 . . . . 1.77 111.615 175.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 65.5 mt -68.54 -59.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.139 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.479 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 76.4 t80 -55.21 -44.7 75.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.652 -0.704 . . . . 1.67 111.119 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.85 -28.15 68.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 1.91 110.426 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.85 -25.2 72.37 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.53 112.45 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.76 -39.57 10.68 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.403 -0.591 . . . . 0.59 109.403 178.573 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -76.66 66.86 2.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.687 0.756 . . . . 1.4 109.934 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.42 -23.52 61.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.73 . . . . 1.31 110.658 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -9.41 59.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.612 -0.722 . . . . 2.8 110.725 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 60.62 43.59 12.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.013 -0.994 . . . . 2.72 112.217 172.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.03 -4.0 28.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 2.14 110.646 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.411 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 3.9 tp10 65.91 30.49 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.606 -0.887 . . . . 2.01 108.606 -174.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.4 10.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.736 -1.12 . . . . 2.16 109.984 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.474 HG13 ' CE1' ' B' ' 58' ' ' PHE . 14.7 m -96.17 134.97 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.4 0.619 . . . . 1.81 110.889 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -95.98 -171.38 2.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.488 -0.778 . . . . 2.02 110.404 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.22 -40.12 96.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.139 0.495 . . . . 2.18 110.851 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.491 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 45.8 tt0 -78.0 -32.31 51.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.032 -0.531 . . . . 1.67 111.104 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.908 -0.775 . . . . 1.99 108.908 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 56.6 t80 -64.72 -29.33 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 1.92 109.88 172.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -66.62 -37.91 80.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.67 109.276 174.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.617 ' O ' HD13 ' B' ' 80' ' ' ILE . 68.9 m -62.39 -37.35 85.43 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.393 -0.822 . . . . 0.74 109.876 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.636 HD22 HD11 ' B' ' 33' ' ' LEU . 7.4 tp -54.57 -46.8 73.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.025 0.441 . . . . 1.14 110.407 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.588 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 11.0 t -64.62 -30.83 51.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 115.561 -0.745 . . . . 0.33 109.832 -177.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.7 -49.04 79.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.419 0.628 . . . . 0.43 109.886 174.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.617 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.81 -40.03 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.11 -0.95 . . . . 0.4 110.357 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.843 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.32 -33.59 55.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.889 -0.596 . . . . 0.28 112.286 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.08 -34.06 74.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.722 0.772 . . . . 0.33 108.928 173.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.543 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 7.7 mttt -73.54 -19.81 60.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.967 -1.015 . . . . 1.67 110.63 173.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 81' ' ' ALA . . . -71.79 -28.55 63.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.516 0.674 . . . . 0.48 109.55 172.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.623 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -82.68 -56.1 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.405 -0.816 . . . . 0.57 111.683 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.475 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 17.9 p80 -85.68 -44.56 12.46 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.492 -0.483 . . . . 2.68 112.176 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.463 ' C ' ' H ' ' B' ' 89' ' ' THR . 6.4 t80 -90.11 21.6 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.91 0.484 . . . . 1.8 109.738 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -48.66 18.73 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.677 2.103 . . . . 3.27 116.677 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.463 ' H ' ' C ' ' B' ' 87' ' ' TYR . 3.6 t -68.25 -42.43 79.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 118.709 0.686 . . . . 1.27 111.15 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 64.3 m80 -139.89 15.11 2.48 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.823 0.344 . . . . 3.47 111.427 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' B' ' 45' ' ' ILE . 58.1 mttp -117.71 17.73 14.29 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.956 -0.757 . . . . 3.47 108.956 171.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-N 114.996 -1.002 . . . . 7.08 109.0 178.24 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.636 0.255 . . . . 6.42 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.424 HG21 ' HA ' ' B' ' 40' ' ' GLU . 10.8 t -148.47 165.16 32.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.959 0.409 . . . . 4.25 110.013 178.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -121.39 -55.31 1.95 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.992 -0.549 . . . . 6.05 110.02 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.5 tp -165.29 -63.57 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.76 -0.654 . . . . 4.5 109.648 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -147.11 3.33 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.825 -0.625 . . . . 3.1 110.854 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.11 -35.97 49.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.406 0.682 . . . . 2.51 112.423 -173.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.493 ' O ' HG13 ' A' ' 11' ' ' ILE . 17.7 m170 -70.13 -62.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.0 -0.437 . . . . 2.16 110.855 -177.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.895 HD13 ' HB1' ' B' ' 81' ' ' ALA . 37.2 mt -66.59 -58.14 5.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.117 0.484 . . . . 0.34 111.586 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.37 -26.24 67.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.683 -0.689 . . . . 2.41 110.084 -175.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.25 -34.67 54.46 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.202 -0.523 . . . . 0.44 112.633 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 7' ' ' HIS . 83.7 mt -70.32 -37.1 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.853 0.835 . . . . 1.16 109.34 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' B' ' 85' ' ' ALA . 68.4 t -69.66 -26.64 31.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.288 -0.869 . . . . 0.57 110.116 174.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.42 -41.82 72.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.421 -0.808 . . . . 1.42 110.862 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.439 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 26.2 pt -69.85 -31.38 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.57 -0.452 . . . . 2.06 110.677 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 42.1 t80 -59.31 -48.47 81.51 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.083 -0.71 . . . . 2.57 109.083 170.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 59.4 t60 -62.81 -23.5 67.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.857 -1.065 . . . . 2.23 110.704 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 6.1 tp-100 -66.91 -57.7 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 2.77 111.039 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.478 ' CE2' ' HA ' ' A' ' 15' ' ' PHE . 28.7 p90 -76.79 -0.99 25.9 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.114 -0.634 . . . . 6.25 111.451 -178.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.413 ' HA ' HD21 ' A' ' 28' ' ' LEU . 71.7 m -85.88 52.17 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.917 0.389 . . . . 3.01 110.706 176.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t 69.35 -72.58 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.403 -0.817 . . . . 4.13 111.246 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.5 -52.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.059 -0.348 . . . . 7.28 110.059 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 62.4 tttp -148.57 -48.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.834 0.309 . . . . 8.7 111.834 -177.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.22 -51.32 59.17 Favored Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.034 -0.53 . . . . 5.67 114.266 -171.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 57.82 69.86 0.7 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.465 0.65 . . . . 8.27 109.382 -172.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -73.37 -41.94 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.713 -0.676 . . . . 7.5 109.95 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.12 148.07 48.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.274 -0.875 . . . . 5.62 108.854 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.434 ' CG2' ' HB3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -82.04 142.33 32.43 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.549 -0.908 . . . . 3.94 108.549 175.411 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -87.8 164.32 16.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.382 0.61 . . . . 2.91 112.171 -164.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 p -97.7 -172.05 2.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.906 -1.043 . . . . 1.35 111.526 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.608 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 16.4 ttmt -58.19 -36.75 73.55 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.027 0.38 . . . . 1.32 112.027 -173.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.07 -40.69 91.8 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.011 -0.614 . . . . 0.4 113.134 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.07 -36.72 64.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.123 0.487 . . . . 2.44 110.817 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 30.1 tp -67.51 -44.07 79.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 0.52 108.998 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.3 70.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.874 -1.057 . . . . 1.87 110.484 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.4 tt0 -55.76 -60.11 3.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.76 -0.655 . . . . 2.46 110.193 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.41 ' C ' HD23 ' A' ' 36' ' ' LEU . 7.7 tt -53.23 -46.42 69.11 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.061 0.458 . . . . 0.45 111.07 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 92.1 mt -65.5 -48.22 73.31 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.237 0.458 . . . . 0.45 112.237 -174.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 49' ' ' LYS . 35.9 p -68.14 -28.48 67.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.492 -0.322 . . . . 1.23 111.841 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.2 ptmt -97.08 -35.84 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.654 0.613 . . . . 1.61 112.654 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 5.5 mm-40 -98.07 -38.02 9.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.791 0.329 . . . . 1.67 111.733 -169.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.78 24.14 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.568 -0.53 . . . . 1.42 109.568 -177.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.8 -29.75 29.37 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.059 -0.973 . . . . 0.78 113.341 -173.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.0 31.93 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.144 0.497 . . . . 2.16 111.224 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -118.98 -66.45 1.07 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.332 0.587 . . . . 0.66 110.222 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 40.1 mt -76.94 132.74 32.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.237 -0.892 . . . . 0.6 109.95 -177.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HB3' ' CA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -54.17 126.75 24.09 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.269 0.356 . . . . 1.61 110.732 -178.324 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 46.56 42.38 11.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.409 -0.814 . . . . 1.48 111.671 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.0 tp -62.63 -7.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.044 0.926 . . . . 0.55 110.38 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.7 OUTLIER -84.51 -13.47 51.83 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.944 -1.025 . . . . 1.11 109.97 178.4 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.63 131.41 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.567 -0.742 . . . . 1.58 111.355 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.608 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -64.59 -29.18 70.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.667 -1.151 . . . . 0.92 110.632 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.1 -33.02 73.74 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.636 0.731 . . . . 0.67 109.36 177.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 57' ' ' ILE . 41.6 t -76.82 -47.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.639 -1.164 . . . . 0.6 109.521 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 58.5 mt -60.63 -43.29 94.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.106 -0.952 . . . . 0.42 111.896 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 13.7 t70 -60.96 -49.95 75.37 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.927 -0.579 . . . . 1.53 109.834 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.29 -46.22 24.81 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.41 -0.814 . . . . 1.77 111.331 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 53' ' ' VAL . 55.6 mt -72.43 -57.47 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.13 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 t80 -54.83 -44.84 74.26 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.795 -0.639 . . . . 1.68 111.06 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -63.47 -29.43 70.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.01 -0.541 . . . . 1.92 110.331 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.77 -31.57 76.15 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.796 -0.716 . . . . 0.53 112.623 174.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -89.55 -38.87 13.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.87 -0.418 . . . . 0.58 109.87 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.2 72.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.31 -0.859 . . . . 1.4 110.186 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.01 70.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.947 -1.024 . . . . 1.3 111.468 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -74.27 -16.17 60.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 2.8 110.939 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 64.25 28.15 13.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.21 -0.904 . . . . 2.72 111.61 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -98.69 4.93 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 2.13 109.853 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 62.69 50.51 3.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.981 -1.008 . . . . 2.02 109.53 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.434 ' HB3' ' CG2' ' A' ' 27' ' ' THR . 96.9 mt-30 -137.91 119.6 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.5 -0.773 . . . . 2.16 110.445 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.88 116.52 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.371 0.605 . . . . 1.81 111.097 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.06 171.63 12.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 2.02 110.572 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -54.73 -43.64 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.437 . . . . 2.17 110.734 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.529 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 30.4 tt0 -69.29 -35.58 76.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.635 0.731 . . . . 1.66 110.629 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -77.0 -29.67 55.56 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.447 -0.797 . . . . 1.99 109.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' A' ' 78' ' ' VAL . 83.8 t80 -68.38 -29.5 68.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.219 -0.66 . . . . 1.92 109.219 169.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.529 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.5 mt -64.79 -36.95 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.84 . . . . 0.67 108.731 173.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.64 ' O ' HD13 ' A' ' 80' ' ' ILE . 32.2 m -66.71 -36.56 82.77 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.224 -0.898 . . . . 0.74 109.754 174.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.9 tm? -57.53 -45.14 85.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.705 -0.48 . . . . 1.15 109.705 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 74' ' ' PHE . 11.3 t -66.56 -30.26 49.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-N 116.182 -0.463 . . . . 0.33 109.868 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.39 -49.21 77.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.333 0.587 . . . . 0.43 110.114 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.64 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.08 -36.41 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.387 -0.824 . . . . 0.4 110.271 176.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.887 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.31 -35.83 54.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.887 -0.597 . . . . 0.28 111.991 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -69.49 -31.98 70.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.849 0.833 . . . . 0.33 109.03 173.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HG2' ' NE2' ' A' ' 86' ' ' HIS . 8.7 mttt -75.25 -20.33 59.26 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.038 -0.983 . . . . 1.67 110.563 173.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.452 ' HA ' ' CB ' ' A' ' 91' ' ' LYS . . . -69.57 -31.76 70.12 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.502 0.668 . . . . 0.48 109.533 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -80.01 -57.15 3.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.511 -0.768 . . . . 0.57 111.554 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 3.2 p80 -82.33 -44.18 16.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.438 -0.505 . . . . 2.68 111.673 -175.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.504 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.0 t80 -88.94 22.6 2.65 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 123.098 0.559 . . . . 1.8 109.812 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.568 ' HB2' ' HB3' ' A' ' 92' ' ' GLU . 8.7 p-80 -48.54 18.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.798 1.777 . . . . 3.26 115.798 -176.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.504 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.0 t -74.64 -38.95 62.36 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.524 -0.735 . . . . 1.26 110.778 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -141.37 9.04 2.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.94 0.4 . . . . 3.47 111.556 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.494 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 68.3 mttm -113.17 11.44 18.81 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.112 -0.699 . . . . 3.47 109.112 171.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.568 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.246 0.872 0 N-CA-C 108.1 -1.074 . . . . 7.09 108.1 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.783 0.325 . . . . 6.42 110.615 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.403 HG21 ' HA ' ' A' ' 40' ' ' GLU . 10.9 t -148.64 164.98 32.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.954 0.407 . . . . 4.26 110.011 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -121.29 -55.16 1.96 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.99 -0.55 . . . . 6.04 110.018 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 31.6 tp -165.45 -63.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.725 -0.671 . . . . 4.5 109.584 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -147.2 3.88 0.8 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.804 -0.635 . . . . 3.1 110.792 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.66 -35.93 55.98 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.752 -0.658 . . . . 2.51 112.436 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.49 ' O ' HG13 ' B' ' 11' ' ' ILE . 17.7 m170 -70.16 -61.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.114 -0.366 . . . . 2.16 110.876 -177.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.887 HD13 ' HB1' ' A' ' 81' ' ' ALA . 36.9 mt -66.73 -57.96 6.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.064 0.459 . . . . 0.34 111.57 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.42 -26.19 67.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.799 -0.637 . . . . 2.41 110.1 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -34.76 53.86 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.16 -0.543 . . . . 0.44 112.654 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.5 mt -70.12 -37.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.842 0.829 . . . . 1.16 109.352 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 85' ' ' ALA . 69.4 t -69.82 -26.4 30.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.269 -0.878 . . . . 0.57 110.12 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -70.67 -41.53 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.485 -0.78 . . . . 1.42 110.867 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 26.3 pt -70.07 -31.4 47.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 120.564 -0.454 . . . . 2.06 110.664 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 42.4 t80 -59.21 -48.5 81.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.147 -0.686 . . . . 2.58 109.147 170.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' B' ' 22' ' ' LYS . 58.9 t60 -62.82 -23.04 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.864 -1.062 . . . . 2.23 110.744 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 6.1 tp-100 -67.35 -57.52 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 2.77 111.062 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' B' ' 15' ' ' PHE . 28.4 p90 -77.02 -0.85 26.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.182 -0.607 . . . . 6.25 111.554 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.407 ' HA ' HD21 ' B' ' 28' ' ' LEU . 71.0 m -86.02 52.1 2.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 3.02 110.726 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t 69.32 -72.74 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.382 -0.826 . . . . 4.12 111.17 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -165.45 -52.91 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.125 -0.324 . . . . 7.28 110.125 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.528 ' HA ' ' CE1' ' B' ' 16' ' ' HIS . 62.4 tttp -148.53 -48.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.87 0.322 . . . . 8.71 111.87 -177.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.65 -50.61 65.43 Favored Glycine 0 N--CA 1.453 -0.213 0 CA-C-N 116.014 -0.539 . . . . 5.68 114.39 -171.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 57.39 69.94 0.7 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.346 0.593 . . . . 8.27 109.435 -172.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -73.52 -41.77 62.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.624 . . . . 7.5 110.046 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.1 147.71 48.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.227 -0.897 . . . . 5.62 108.957 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' B' ' 68' ' ' GLN . 0.6 OUTLIER -81.82 141.92 33.03 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.647 -0.871 . . . . 3.95 108.647 175.412 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.432 HD22 ' N ' ' B' ' 28' ' ' LEU . 2.7 mm? -87.63 164.25 16.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.423 0.63 . . . . 2.91 112.168 -164.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -97.34 -172.04 2.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.006 -0.997 . . . . 1.35 111.603 -176.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.603 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 16.3 ttmt -58.23 -36.51 73.28 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.102 0.408 . . . . 1.32 112.102 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.42 -40.44 92.14 Favored Glycine 0 C--N 1.329 0.154 0 C-N-CA 120.869 -0.681 . . . . 0.4 113.139 -177.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.99 -36.62 64.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.085 0.469 . . . . 2.43 110.913 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 30.2 tp -67.44 -44.19 79.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.909 -0.775 . . . . 0.52 108.909 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.27 70.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.812 -1.086 . . . . 1.87 110.509 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 33.1 tt0 -55.54 -60.11 3.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.758 -0.655 . . . . 2.45 110.203 175.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.405 HD23 ' C ' ' B' ' 36' ' ' LEU . 7.7 tt -53.35 -46.59 69.58 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.115 0.483 . . . . 0.45 110.923 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 92.7 mt -65.35 -48.23 73.72 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 112.34 0.496 . . . . 0.45 112.34 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.544 HG22 ' HA ' ' B' ' 49' ' ' LYS . 35.7 p -68.09 -28.47 67.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.475 -0.33 . . . . 1.23 111.796 -175.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.459 ' HG3' ' HG2' ' B' ' 40' ' ' GLU . 17.3 ptmt -97.11 -35.71 10.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.705 0.631 . . . . 1.62 112.705 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.459 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 5.6 mm-40 -98.08 -38.31 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.674 0.273 . . . . 1.67 111.623 -169.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.7 24.25 13.3 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.571 -0.529 . . . . 1.42 109.571 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.63 -30.25 30.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.081 -0.963 . . . . 0.78 113.373 -173.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -121.65 31.94 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.208 0.528 . . . . 2.16 111.153 -173.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.4 m -119.14 -66.32 1.08 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.297 0.57 . . . . 0.66 110.125 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 40.8 mt -76.9 133.05 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.296 -0.865 . . . . 0.6 109.881 -177.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.449 ' HB3' ' CA ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -54.35 126.37 22.97 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.168 0.292 . . . . 1.61 110.725 -178.435 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 46.7 42.36 11.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.995 0.809 . . . . 1.48 111.615 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -62.53 -6.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.979 0.895 . . . . 0.56 110.421 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.5 -13.77 50.98 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.965 -1.016 . . . . 1.11 109.962 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.33 130.94 35.0 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.568 -0.742 . . . . 1.59 111.401 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.603 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -64.42 -28.96 70.04 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.724 -1.125 . . . . 0.92 110.72 178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.42 74.62 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.47 0.652 . . . . 0.67 109.341 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.538 ' O ' HG13 ' B' ' 57' ' ' ILE . 41.5 t -76.57 -47.88 28.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.536 -1.211 . . . . 0.6 109.504 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.48 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 58.5 mt -60.72 -43.43 95.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 0.42 111.86 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' B' ' 30' ' ' LYS . 16.1 t70 -60.9 -49.79 76.05 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 116.058 -0.519 . . . . 1.53 109.726 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -47.3 -46.5 25.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.355 -0.838 . . . . 1.77 111.287 175.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 53' ' ' VAL . 55.3 mt -72.4 -57.22 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.155 -177.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.95 -44.69 74.56 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.843 -0.617 . . . . 1.67 111.129 -177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -63.59 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.025 -0.534 . . . . 1.91 110.364 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.86 -31.11 74.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.856 -0.688 . . . . 0.53 112.503 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' B' ' 77' ' ' LEU . 0.1 OUTLIER -90.02 -38.8 13.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.083 0.441 . . . . 0.59 109.811 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.4 73.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.922 0.867 . . . . 1.4 110.143 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.02 -31.86 69.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 1.31 111.539 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -74.01 -17.0 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.141 -0.482 . . . . 2.8 110.884 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 64.83 27.97 12.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.304 -0.862 . . . . 2.72 111.542 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -98.74 4.96 47.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 2.14 109.784 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 62.74 50.48 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.944 -1.025 . . . . 2.01 109.596 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLN . . . . . 0.441 ' HB3' ' CG2' ' B' ' 27' ' ' THR . 97.0 mt-30 -138.08 119.25 14.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 2.16 110.421 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.43 116.47 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 1.81 111.194 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.06 171.68 12.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 2.02 110.648 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -54.75 -43.69 72.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.988 0.423 . . . . 2.18 110.715 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.52 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 30.8 tt0 -69.15 -35.73 76.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.784 0.802 . . . . 1.67 110.583 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.93 -29.71 55.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.325 -0.852 . . . . 1.99 109.879 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' B' ' 78' ' ' VAL . 83.9 t80 -68.33 -29.66 68.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.18 -0.674 . . . . 1.92 109.18 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.52 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.5 mt -64.59 -37.2 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.679 -0.86 . . . . 0.67 108.679 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.633 ' O ' HD13 ' B' ' 80' ' ' ILE . 35.1 m -66.66 -36.33 82.28 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.191 -0.913 . . . . 0.74 109.848 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.9 tm? -57.65 -45.13 85.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.708 -0.479 . . . . 1.14 109.708 175.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 74' ' ' PHE . 11.5 t -66.65 -30.13 48.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 N-CA-C 109.774 -0.454 . . . . 0.33 109.774 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.48 -49.08 78.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 0.43 110.073 175.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.16 -36.51 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.382 -0.827 . . . . 0.4 110.295 176.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.895 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.18 -35.92 55.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.849 -0.614 . . . . 0.28 111.986 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.42 -32.04 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.803 0.811 . . . . 0.33 109.015 173.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.598 ' HG2' ' NE2' ' B' ' 86' ' ' HIS . 8.8 mttt -75.37 -20.18 59.12 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.059 -0.973 . . . . 1.67 110.631 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.451 ' HA ' ' CB ' ' B' ' 91' ' ' LYS . . . -69.56 -31.85 70.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.262 0.553 . . . . 0.48 109.603 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.601 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -79.9 -57.12 3.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.587 -0.733 . . . . 0.57 111.501 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.598 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 2.9 p80 -82.22 -44.09 16.8 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.943 -0.473 . . . . 2.68 111.771 -175.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' TYR . . . . . 0.506 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.5 t80 -89.21 22.56 2.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 123.208 0.603 . . . . 1.8 109.884 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.567 ' HB2' ' HB3' ' B' ' 92' ' ' GLU . 8.7 p-80 -48.47 18.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.792 1.775 . . . . 3.27 115.792 -177.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.506 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.0 t -75.01 -38.37 61.56 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.39 -0.819 . . . . 1.27 110.913 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -142.0 9.5 1.92 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 3.47 111.52 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.507 ' HD2' ' HB3' ' B' ' 83' ' ' LYS . 68.3 mttm -113.53 11.74 18.42 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.087 -0.709 . . . . 3.47 109.087 171.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.567 ' HB3' ' HB2' ' B' ' 88' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.861 0 CA-C-N 114.926 -1.033 . . . . 7.08 108.352 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.022 0.439 . . . . 3.1000000000000001 111.131 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.443 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 22.8 tt0 -65.13 -19.23 65.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.5099999999999998 110.471 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.8 -26.0 34.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.302 -0.408 . . . . 2.1600000000000001 111.111 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.769 HD13 ' HB1' ' B' ' 81' ' ' ALA . 77.4 mt -82.61 -61.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.924 -0.31 . . . . 0.34000000000000002 110.643 178.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.497 ' HG2' ' HB1' ' B' ' 85' ' ' ALA . 27.5 mt-10 -67.87 -21.62 65.15 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.433 -0.507 . . . . 2.4100000000000001 109.834 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.524 ' HA2' ' ND2' ' A' ' 13' ' ' ASN . . . -63.37 -53.86 36.28 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.517 -0.765 . . . . 0.44 112.172 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.14 -36.78 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.089 0.471 . . . . 1.1599999999999999 110.271 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.485 HG21 ' HB3' ' B' ' 85' ' ' ALA . 55.3 t -61.4 -50.0 82.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.608 -0.723 . . . . 0.56999999999999995 112.004 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.524 ' ND2' ' HA2' ' A' ' 10' ' ' GLY . 7.7 p30 -73.26 -23.6 60.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.177 -0.609 . . . . 1.4199999999999999 110.418 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.3 mt -63.74 -47.32 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 2.0600000000000001 110.164 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' HD2' ' CD2' ' A' ' 71' ' ' PHE . 28.8 t80 -62.27 -39.68 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.079 0.466 . . . . 2.5699999999999998 110.0 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -64.55 -26.26 68.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 2.23 111.104 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 2.77 111.948 -176.536 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 59.0 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.78 0.8 . . . . 2.9100000000000001 110.628 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 m -80.42 -171.72 3.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.156 -0.929 . . . . 1.3500000000000001 112.087 -174.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.2 -23.27 66.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 1.3200000000000001 111.773 -173.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.96 80.7 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.854 -0.689 . . . . 0.40000000000000002 112.653 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.12 -39.73 75.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 2.4399999999999999 110.712 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.7 tp -64.0 -50.15 69.65 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.69 -0.687 . . . . 0.52000000000000002 110.199 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 54' ' ' ILE . 25.8 tptt -51.3 -43.88 61.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 1.8700000000000001 110.706 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -59.9 -58.56 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 2.46 110.544 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.0 tt -54.26 -45.85 72.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 120.991 0.424 . . . . 0.45000000000000001 110.732 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.8 mt -63.0 -50.65 69.89 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.613 0.597 . . . . 0.45000000000000001 112.613 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 11.2 t -67.74 -27.67 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.18 -0.208 . . . . 1.23 111.527 -174.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -97.37 -30.5 12.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.199 0.815 . . . . 1.6100000000000001 113.199 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 26.6 mm-40 -97.17 -49.49 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.427 0.632 . . . . 1.6699999999999999 110.864 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' B' ' 8' ' ' LEU . 7.8 mp -95.74 18.59 12.74 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.759 -0.655 . . . . 1.4199999999999999 111.29 -172.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.84 -25.79 21.26 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.323 0.861 . . . . 0.78000000000000003 113.323 -175.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -109.26 -2.86 17.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 2.1600000000000001 111.694 -174.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.7 -62.21 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.567 . . . . 0.66000000000000003 111.053 -170.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 45.4 mt -82.08 138.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.501 -0.772 . . . . 0.59999999999999998 110.196 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.83 123.05 14.42 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.185 -0.461 . . . . 1.6100000000000001 109.947 -178.007 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.495 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.7 m120 46.62 43.73 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 1.48 111.74 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.8 tp -62.43 -4.58 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.927 0.87 . . . . 0.55000000000000004 110.782 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -80.93 -24.07 38.43 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.402 -0.817 . . . . 1.1100000000000001 109.581 179.039 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.59 126.99 31.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.715 -1.129 . . . . 1.5800000000000001 111.087 -176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.38 -25.63 68.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.052 -0.976 . . . . 0.92000000000000004 110.06 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.37 -36.65 74.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.67000000000000004 109.463 176.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.8 t -72.74 -45.59 56.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.013 -0.994 . . . . 0.59999999999999998 109.212 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 34' ' ' LYS . 42.6 mt -65.02 -35.0 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.569 -1.196 . . . . 0.41999999999999998 111.386 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.9 t70 -62.7 -52.65 62.46 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.814 -0.81 . . . . 1.53 108.814 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 33.2 mm-40 -48.43 -46.45 37.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.524 -1.217 . . . . 1.77 111.616 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.522 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 73.5 mt -71.55 -51.65 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.29 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 69' ' ' VAL . 78.6 t80 -53.45 -46.97 70.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.916 -0.584 . . . . 1.6799999999999999 110.325 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 13.7 mm100 -65.89 -27.35 68.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.297 -0.865 . . . . 1.9199999999999999 110.371 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.79 -26.91 71.77 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.774 -0.648 . . . . 0.53000000000000003 112.2 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -91.18 -41.54 10.94 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.885 -0.783 . . . . 0.57999999999999996 108.885 178.331 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -81.2 70.69 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.945 -1.025 . . . . 1.3999999999999999 110.222 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.19 -16.3 63.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.331 -0.849 . . . . 1.3 109.341 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.74 -20.31 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.705 -1.134 . . . . 2.7999999999999998 110.201 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 58.64 39.07 24.98 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.162 -0.926 . . . . 2.7200000000000002 110.393 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -123.35 4.22 9.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 2.1299999999999999 110.816 -174.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.44 47.69 2.23 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.177 -0.92 . . . . 2.02 110.794 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.36 118.16 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 2.1600000000000001 111.131 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.487 HG23 ' CE1' ' A' ' 58' ' ' PHE . 34.6 t -107.3 107.43 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.489 0.661 . . . . 1.8100000000000001 110.473 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.23 174.85 11.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.255 -0.884 . . . . 2.02 109.161 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.425 ' CD2' ' HD2' ' A' ' 15' ' ' PHE . 51.1 m-85 -57.28 -31.09 65.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.392 . . . . 2.1699999999999999 109.943 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 75' ' ' ILE . 63.8 tt0 -72.93 -39.78 65.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.061 0.458 . . . . 1.6599999999999999 111.311 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -70.87 -30.86 67.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.67 0.748 . . . . 1.99 109.356 176.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 78' ' ' VAL . 74.7 t80 -72.53 -20.63 61.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 1.9199999999999999 109.581 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 72' ' ' GLN . 0.5 OUTLIER -66.93 -42.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.525 -0.762 . . . . 0.67000000000000004 109.114 176.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.6 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.4 p -68.79 -27.51 65.95 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.914 -0.584 . . . . 0.73999999999999999 110.424 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.7 tm? -61.13 -45.64 93.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.619 -0.511 . . . . 1.1499999999999999 109.619 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 74' ' ' PHE . 15.9 t -66.44 -26.12 36.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 116.154 -0.475 . . . . 0.33000000000000002 109.756 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -63.8 -44.9 91.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.243 0.544 . . . . 0.42999999999999999 110.04 173.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -63.94 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.446 -0.797 . . . . 0.40000000000000002 110.268 175.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.41 -42.74 43.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.249 -0.887 . . . . 0.28000000000000003 112.804 -172.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' HG ' HG12 ' A' ' 78' ' ' VAL . 96.3 mt -64.39 -34.4 78.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 0.33000000000000002 109.531 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 3.2 tmtp? -64.58 -44.66 89.96 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.257 -0.883 . . . . 1.6699999999999999 109.288 174.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.478 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -63.91 -20.57 65.95 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.878 -0.601 . . . . 0.47999999999999998 111.292 175.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB1' ' HG2' ' B' ' 9' ' ' GLU . . . -80.03 -55.56 4.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.707 0.262 . . . . 0.56999999999999995 111.707 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -80.21 -46.38 16.39 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.637 0.732 . . . . 2.6800000000000002 110.763 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.518 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.7 t80 -88.11 25.97 1.48 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.778 -1.101 . . . . 1.8 109.24 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 38.0 t-80 -45.31 6.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.924 1.69 . . . . 3.2599999999999998 114.795 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.9 t -66.38 -44.97 81.65 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.071 -0.714 . . . . 1.26 109.071 172.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 . . . . . 0 C--N 1.34 0.194 0 C-N-CA 125.083 1.353 . . . . 3.4700000000000002 108.93 177.059 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.974 0.416 . . . . 3.1000000000000001 111.103 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.446 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 23.7 tt0 -65.25 -19.28 65.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.702 -0.681 . . . . 2.5099999999999998 110.43 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -81.79 -25.9 34.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 2.1600000000000001 111.127 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.767 HD13 ' HB1' ' A' ' 81' ' ' ALA . 77.3 mt -82.74 -61.32 1.91 Allowed 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.915 -0.314 . . . . 0.34000000000000002 110.497 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.488 ' HG2' ' HB1' ' A' ' 85' ' ' ALA . 28.6 mt-10 -67.81 -21.8 65.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.492 -0.483 . . . . 2.4100000000000001 109.942 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.512 ' HA2' ' ND2' ' B' ' 13' ' ' ASN . . . -63.14 -54.21 34.46 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.538 -0.755 . . . . 0.44 112.227 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.77 -37.0 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.156 0.503 . . . . 1.1599999999999999 110.278 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 85' ' ' ALA . 54.9 t -61.43 -49.61 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 0.56999999999999995 112.141 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.512 ' ND2' ' HA2' ' B' ' 10' ' ' GLY . 7.8 p30 -73.71 -23.34 59.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.185 -0.606 . . . . 1.4199999999999999 110.263 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.8 mt -63.71 -47.4 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 2.0600000000000001 110.212 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.421 ' HD2' ' CD2' ' B' ' 71' ' ' PHE . 29.1 t80 -62.38 -39.81 94.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 2.5800000000000001 109.931 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -64.51 -26.08 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.822 -0.626 . . . . 2.23 111.143 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 2.77 112.001 -176.565 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 69' ' ' VAL . 58.2 mt . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.754 0.788 . . . . 2.9100000000000001 110.61 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.5 m -80.56 -171.7 3.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.228 -0.896 . . . . 1.3500000000000001 112.076 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -62.21 -22.9 66.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 1.3200000000000001 111.796 -173.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.67 -48.83 82.72 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.827 -0.702 . . . . 0.40000000000000002 112.707 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -70.33 -39.43 74.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.46 . . . . 2.4300000000000002 110.744 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -64.25 -50.21 68.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.663 -0.699 . . . . 0.52000000000000002 110.056 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' B' ' 54' ' ' ILE . 25.8 tptt -51.2 -43.78 61.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 1.8700000000000001 110.83 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -59.91 -58.47 8.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.962 -0.563 . . . . 2.4500000000000002 110.625 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 9.0 tt -54.38 -45.77 72.9 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.983 0.42 . . . . 0.45000000000000001 110.67 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.8 mt -63.12 -50.64 69.67 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.605 0.595 . . . . 0.45000000000000001 112.605 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 10.8 t -67.55 -28.07 67.48 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.16 -0.216 . . . . 1.23 111.512 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -97.18 -30.45 13.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.152 0.797 . . . . 1.6200000000000001 113.152 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 26.5 mm-40 -97.02 -49.67 4.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.438 0.637 . . . . 1.6699999999999999 110.927 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 8' ' ' LEU . 7.9 mp -95.86 18.63 12.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.748 -0.66 . . . . 1.4199999999999999 111.202 -172.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.89 -25.69 21.28 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.353 0.871 . . . . 0.78000000000000003 113.353 -175.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -109.51 -2.2 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.684 0.278 . . . . 2.1600000000000001 111.682 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.9 -62.64 1.25 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.336 0.588 . . . . 0.66000000000000003 110.946 -170.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 45.0 mt -81.79 138.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.516 -0.765 . . . . 0.59999999999999998 110.169 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.5 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -58.37 123.3 15.67 Favored 'General case' 0 CA--C 1.521 -0.164 0 O-C-N 123.44 0.463 . . . . 1.6100000000000001 109.915 -177.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.5 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 14.1 m120 46.64 43.75 12.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 123.838 0.711 . . . . 1.48 111.797 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.8 tp -62.69 -4.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.97 0.891 . . . . 0.56000000000000005 110.785 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -24.35 38.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.304 -0.862 . . . . 1.1100000000000001 109.486 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.37 127.05 31.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 114.763 -1.108 . . . . 1.5900000000000001 111.091 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -63.45 -25.46 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 0.92000000000000004 110.123 176.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.43 -36.54 74.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.412 -0.588 . . . . 0.67000000000000004 109.412 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.446 ' O ' HG13 ' B' ' 57' ' ' ILE . 22.3 t -72.88 -45.35 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 114.935 -1.029 . . . . 0.59999999999999998 109.168 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 34' ' ' LYS . 42.7 mt -65.17 -35.14 74.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.621 -1.172 . . . . 0.41999999999999998 111.394 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 15.3 t70 -62.8 -52.59 62.59 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.747 -0.835 . . . . 1.53 108.747 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -48.42 -46.18 37.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.553 -1.203 . . . . 1.77 111.746 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 74.2 mt -71.83 -51.75 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.203 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.503 ' CE1' HG23 ' B' ' 69' ' ' VAL . 78.9 t80 -53.34 -47.04 69.69 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.902 -0.59 . . . . 1.6699999999999999 110.356 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 13.3 mm100 -65.63 -27.6 68.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.237 -0.892 . . . . 1.9099999999999999 110.506 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.16 -27.76 71.34 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.766 -0.652 . . . . 0.53000000000000003 112.295 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.526 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.4 OUTLIER -90.74 -41.5 11.23 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.825 -0.806 . . . . 0.58999999999999997 108.825 178.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.22 70.82 8.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.982 -1.008 . . . . 1.3999999999999999 110.37 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.3 -15.8 62.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.22 -0.9 . . . . 1.3100000000000001 109.509 175.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -73.05 -20.29 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.115 . . . . 2.7999999999999998 110.287 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 58.2 39.99 25.3 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.036 -0.983 . . . . 2.7200000000000002 110.242 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.28 4.42 8.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 2.1400000000000001 110.791 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 65.41 47.77 2.23 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.297 -0.865 . . . . 2.0099999999999998 110.692 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -140.77 118.14 11.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 2.1600000000000001 111.162 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.503 HG23 ' CE1' ' B' ' 58' ' ' PHE . 34.8 t -107.18 107.32 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.536 0.684 . . . . 1.8100000000000001 110.581 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -79.13 174.82 11.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.336 -0.847 . . . . 2.02 109.06 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.421 ' CD2' ' HD2' ' B' ' 15' ' ' PHE . 50.7 m-85 -57.17 -31.01 64.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.874 0.369 . . . . 2.1800000000000002 110.083 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' B' ' 75' ' ' ILE . 63.9 tt0 -73.07 -39.76 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 1.6699999999999999 111.281 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.3 mm-40 -70.82 -30.9 67.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.608 0.718 . . . . 1.99 109.325 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.588 ' O ' HG23 ' B' ' 78' ' ' VAL . 74.8 t80 -72.51 -20.47 61.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.668 -0.696 . . . . 1.9199999999999999 109.64 173.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' B' ' 72' ' ' GLN . 0.5 OUTLIER -67.0 -41.99 88.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.484 -0.78 . . . . 0.67000000000000004 109.074 176.673 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.59 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.4 p -68.81 -27.46 65.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.94 -0.573 . . . . 0.73999999999999999 110.483 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.528 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.6 tm? -61.22 -45.67 93.6 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.578 -0.527 . . . . 1.1399999999999999 109.578 174.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.2 t -66.42 -26.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.133 -0.485 . . . . 0.33000000000000002 109.692 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -63.66 -44.97 92.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.347 0.594 . . . . 0.42999999999999999 110.147 173.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.59 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -63.98 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 0.40000000000000002 110.271 175.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.769 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.48 -42.72 42.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.297 -0.865 . . . . 0.28000000000000003 112.793 -172.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.468 ' HB2' HG12 ' A' ' 75' ' ' ILE . 96.3 mt -64.35 -34.49 78.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.388 0.613 . . . . 0.33000000000000002 109.451 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' B' ' 79' ' ' ALA . 3.3 tmtp? -64.43 -44.71 90.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.334 -0.848 . . . . 1.6699999999999999 109.36 174.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' B' ' 88' ' ' HIS . . . -64.01 -20.4 65.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.825 -0.625 . . . . 0.47999999999999998 111.28 175.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.497 ' HB1' ' HG2' ' A' ' 9' ' ' GLU . . . -79.98 -55.4 4.99 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.808 0.299 . . . . 0.56999999999999995 111.808 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -80.52 -46.35 15.97 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.496 0.665 . . . . 2.6800000000000002 110.718 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.524 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.6 t80 -88.11 26.12 1.45 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.757 -1.111 . . . . 1.8 109.194 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' B' ' 84' ' ' ALA . 37.6 t-80 -45.35 6.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.876 1.67 . . . . 3.27 114.72 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.524 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -65.93 -45.2 82.7 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.985 -0.746 . . . . 1.27 108.985 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 . . . . . 0 C--N 1.341 0.214 0 C-N-CA 124.987 1.315 . . . . 3.4700000000000002 108.933 177.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.556 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 7.9 pt-20 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.632 0.253 . . . . 3.1000000000000001 111.5 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.74 -34.61 39.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.61 0.719 . . . . 2.5099999999999998 110.626 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.446 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.8 m80 -79.46 -49.13 12.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.617 -0.72 . . . . 2.1600000000000001 110.34 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.692 HD13 ' HB1' ' B' ' 81' ' ' ALA . 78.0 mt -60.84 -60.44 3.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.101 -0.499 . . . . 0.34000000000000002 111.002 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -71.38 -23.01 61.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 2.4100000000000001 110.375 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.22 -38.22 96.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.502 -0.856 . . . . 0.44 111.877 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 7' ' ' HIS . 79.3 mt -72.34 -42.56 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.212 0.529 . . . . 1.1599999999999999 109.891 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 85' ' ' ALA . 52.7 t -58.79 -37.25 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.238 -0.892 . . . . 0.56999999999999995 110.756 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.578 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 32.8 t30 -61.9 -46.52 89.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 1.4199999999999999 110.704 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.9 mm -63.9 -34.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 2.0600000000000001 110.684 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.3 -45.49 84.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.634 0.73 . . . . 2.5699999999999998 109.413 173.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -68.11 -20.99 64.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.307 -0.86 . . . . 2.23 110.666 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 31.1 mm-40 . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 113.717 1.006 . . . . 2.77 113.717 -174.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 108.906 -0.776 . . . . 2.9100000000000001 108.906 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 m -97.27 -171.09 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.602 -0.726 . . . . 1.3500000000000001 112.134 -173.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -55.39 -36.84 66.82 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 112.744 0.646 . . . . 1.3200000000000001 112.744 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.91 -46.12 94.08 Favored Glycine 0 CA--C 1.512 -0.15 0 C-N-CA 120.701 -0.761 . . . . 0.40000000000000002 112.733 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.28 -41.04 94.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.351 0.596 . . . . 2.4399999999999999 110.462 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.719 HD11 HD22 ' A' ' 77' ' ' LEU . 19.0 tp -65.04 -49.94 68.16 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.998 . . . . 0.52000000000000002 109.682 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 77.6 tttt -52.99 -46.46 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.41 -0.814 . . . . 1.8700000000000001 110.843 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 26.4 tt0 -52.81 -62.08 1.88 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.73 -0.668 . . . . 2.46 110.182 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.91 -49.52 62.88 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.191 0.52 . . . . 0.45000000000000001 110.881 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.5 mt -60.58 -51.08 70.92 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.912 0.708 . . . . 0.45000000000000001 112.912 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 25.3 p -67.61 -28.21 67.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.093 0.405 . . . . 1.23 112.093 -174.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.2 ptmm? -97.3 -32.41 11.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.887 0.699 . . . . 1.6100000000000001 112.887 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 41.3 mm-40 -101.3 -46.8 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.91 0.386 . . . . 1.6699999999999999 111.397 -172.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 8' ' ' LEU . 18.6 mt -102.49 25.23 9.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.258 0.551 . . . . 1.4199999999999999 109.71 -176.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.52 ' HA ' HG21 ' A' ' 48' ' ' ILE . . . -53.98 -27.36 30.97 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.741 -1.118 . . . . 0.78000000000000003 112.803 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.77 -12.73 16.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.98 0.363 . . . . 2.1600000000000001 111.98 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.556 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.1 m -95.81 -62.89 1.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.515 0.674 . . . . 0.66000000000000003 110.915 -166.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.518 HG21 HD11 ' A' ' 57' ' ' ILE . 55.7 mt -78.4 135.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.92 -1.037 . . . . 0.59999999999999998 109.718 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.75 23.3 Favored 'General case' 0 CA--C 1.516 -0.343 0 O-C-N 123.354 0.408 . . . . 1.6100000000000001 110.287 -176.55 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 81.8 m-20 43.54 44.63 5.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.874 0.734 . . . . 1.48 112.004 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.52 HG21 ' HA ' ' A' ' 42' ' ' ALA . 9.1 tp -60.84 -5.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.973 0.892 . . . . 0.55000000000000004 110.85 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HA ' HG22 ' A' ' 38' ' ' THR . 11.4 mmmm -85.51 -15.41 42.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.971 -1.013 . . . . 1.1100000000000001 109.921 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.0 129.72 35.07 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.24 -0.891 . . . . 1.5800000000000001 110.922 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.6 -27.03 68.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.984 -1.007 . . . . 0.92000000000000004 110.269 177.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.48 -38.52 74.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.195 -0.669 . . . . 0.67000000000000004 109.195 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 57' ' ' ILE . 40.3 t -70.59 -44.06 77.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.679 -1.146 . . . . 0.59999999999999998 109.147 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 39.4 mt -64.47 -37.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 114.716 -1.129 . . . . 0.41999999999999998 111.394 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 12.6 t70 -63.78 -51.11 66.28 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.798 -0.816 . . . . 1.53 108.798 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -50.11 -44.56 52.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.935 -1.03 . . . . 1.77 111.668 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.586 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 69.5 mt -67.86 -58.02 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.241 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 69' ' ' VAL . 91.3 t80 -52.85 -46.38 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 1.6799999999999999 110.853 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 16.1 mm100 -68.12 -25.17 65.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.571 -0.74 . . . . 1.9199999999999999 110.617 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.63 -26.43 63.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.043 -0.598 . . . . 0.53000000000000003 112.264 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.615 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -91.44 -41.89 10.6 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.458 -0.571 . . . . 0.57999999999999996 109.458 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.34 74.77 1.01 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.431 -0.804 . . . . 1.3999999999999999 110.341 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.41 -16.68 61.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.004 -0.998 . . . . 1.3 110.053 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -74.26 -21.18 59.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.446 -0.797 . . . . 2.7999999999999998 109.999 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 60.4 27.63 17.23 Favored 'General case' 0 CA--C 1.524 -0.046 0 CA-C-N 114.995 -1.002 . . . . 2.7200000000000002 111.024 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -114.95 9.38 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 2.1299999999999999 110.301 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 44.1 mt-10 62.0 51.41 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.262 -0.881 . . . . 2.02 110.523 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.8 116.74 11.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 2.1600000000000001 111.325 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' CE1' ' A' ' 58' ' ' PHE . 56.0 t -97.6 115.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 1.8100000000000001 110.874 175.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -91.64 173.08 8.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.837 -0.801 . . . . 2.02 108.837 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -53.77 -38.46 64.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.427 0.558 . . . . 2.1699999999999999 110.391 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.641 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 20.7 tt0 -64.21 -43.65 94.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 1.6599999999999999 111.738 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.615 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.6 mm-40 -71.57 -36.06 70.78 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.493 0.663 . . . . 1.99 109.503 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.506 ' O ' HG23 ' A' ' 78' ' ' VAL . 49.8 t80 -64.56 -26.86 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.468 -0.787 . . . . 1.9199999999999999 109.556 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.73 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.7 OUTLIER -63.26 -40.57 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.195 -0.911 . . . . 0.67000000000000004 109.398 175.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD13 ' A' ' 80' ' ' ILE . 23.6 m -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.409 -0.814 . . . . 0.73999999999999999 109.876 174.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.719 HD22 HD11 ' A' ' 33' ' ' LEU . 15.5 tp -57.5 -45.91 84.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.621 0.248 . . . . 1.1499999999999999 110.697 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 74' ' ' PHE . 10.7 t -63.78 -32.29 56.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.644 -0.502 . . . . 0.33000000000000002 109.644 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.11 -49.33 78.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.444 0.64 . . . . 0.42999999999999999 109.683 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -43.63 83.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.124 -0.943 . . . . 0.40000000000000002 110.422 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.694 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.02 -29.43 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.39 -0.823 . . . . 0.28000000000000003 112.589 -173.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 84.5 mt -72.38 -39.25 68.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.956 0.407 . . . . 0.33000000000000002 110.103 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.718 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 27.9 mmmt -64.44 -38.1 89.86 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.033 -0.729 . . . . 1.6699999999999999 109.033 171.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -64.14 -22.25 66.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.392 -0.367 . . . . 0.47999999999999998 111.414 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.29 -53.46 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.953 0.353 . . . . 0.56999999999999995 111.953 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' A' ' 88' ' ' HIS . 43.6 t-80 -85.9 -44.74 12.15 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.275 0.559 . . . . 2.6800000000000002 110.742 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.547 ' C ' ' H ' ' A' ' 89' ' ' THR . 12.2 t80 -83.39 22.93 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.235 -0.893 . . . . 1.8 109.283 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 1.1 t60 -47.57 17.93 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.777 2.031 . . . . 3.2599999999999998 114.911 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.9 t -87.25 -44.81 11.17 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 N--CA 1.465 0.277 0 C-N-CA 124.239 1.016 . . . . 3.4700000000000002 109.122 174.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.556 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 7.9 pt-20 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.536 0.207 . . . . 3.1000000000000001 111.482 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -51.61 -34.74 38.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 2.5099999999999998 110.761 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.441 ' O ' HG13 ' B' ' 11' ' ' ILE . 38.7 m80 -79.23 -49.18 12.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.574 -0.739 . . . . 2.1600000000000001 110.408 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.694 HD13 ' HB1' ' A' ' 81' ' ' ALA . 78.3 mt -61.08 -60.26 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.559 0.537 . . . . 0.34000000000000002 110.968 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.52 -22.88 61.72 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.904 -0.589 . . . . 2.4100000000000001 110.457 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.597 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.23 -38.24 96.16 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.674 -0.774 . . . . 0.44 111.739 175.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 7' ' ' HIS . 79.2 mt -72.43 -42.56 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.171 0.51 . . . . 1.1599999999999999 109.876 177.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 85' ' ' ALA . 52.2 t -58.69 -37.33 65.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 0.56999999999999995 110.818 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 32.5 t30 -61.74 -46.61 88.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.4199999999999999 110.662 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -63.97 -34.11 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 2.0600000000000001 110.609 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -57.43 -45.12 85.02 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.535 0.683 . . . . 2.5800000000000001 109.461 173.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.33 -21.09 64.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.322 -0.854 . . . . 2.23 110.686 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 30.9 mm-40 . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 113.572 0.953 . . . . 2.77 113.572 -174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 108.927 -0.768 . . . . 2.9100000000000001 108.927 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.6 m -97.26 -171.09 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.623 -0.717 . . . . 1.3500000000000001 112.15 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -55.42 -37.01 67.11 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.737 0.643 . . . . 1.3200000000000001 112.737 -169.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -46.78 92.52 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.687 -0.768 . . . . 0.40000000000000002 112.695 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.89 -41.17 95.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.394 0.616 . . . . 2.4300000000000002 110.464 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.742 HD11 HD22 ' B' ' 77' ' ' LEU . 19.1 tp -65.0 -49.94 68.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.961 -1.018 . . . . 0.52000000000000002 109.697 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 77.6 tttt -52.79 -46.66 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 1.8700000000000001 110.824 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 25.9 tt0 -52.8 -61.9 1.99 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.661 -0.699 . . . . 2.4500000000000002 110.218 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.1 -49.45 63.57 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.122 0.487 . . . . 0.45000000000000001 110.861 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.5 mt -60.55 -51.07 71.01 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.888 0.699 . . . . 0.45000000000000001 112.888 -174.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 25.2 p -67.71 -28.09 67.37 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.96 0.356 . . . . 1.23 111.96 -174.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.2 ptmm? -97.35 -32.42 11.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.967 0.729 . . . . 1.6200000000000001 112.967 -177.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.449 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 41.4 mm-40 -101.19 -46.81 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.429 . . . . 1.6699999999999999 111.409 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.504 HD22 HD11 ' A' ' 8' ' ' LEU . 18.6 mt -102.4 25.29 9.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.323 0.582 . . . . 1.4199999999999999 109.709 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.537 ' HA ' HG21 ' B' ' 48' ' ' ILE . . . -54.24 -27.16 32.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.752 -1.113 . . . . 0.78000000000000003 112.741 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -103.89 -12.7 16.72 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.91 0.337 . . . . 2.1600000000000001 111.91 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.556 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.1 m -95.55 -63.11 1.19 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.52 0.676 . . . . 0.66000000000000003 110.988 -166.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.535 HG21 HD11 ' B' ' 57' ' ' ILE . 56.0 mt -78.48 135.27 26.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.873 -1.058 . . . . 0.59999999999999998 109.615 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.76 23.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 123.34 0.4 . . . . 1.6100000000000001 110.35 -176.581 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.458 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 80.2 m-20 43.64 44.77 5.52 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.996 0.81 . . . . 1.48 111.798 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.537 HG21 ' HA ' ' B' ' 42' ' ' ALA . 9.1 tp -60.91 -5.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.994 0.902 . . . . 0.56000000000000005 110.763 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' B' ' 47' ' ' ASN . 11.4 mmmm -85.72 -15.5 42.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.98 -1.009 . . . . 1.1100000000000001 109.777 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.02 129.8 35.07 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.306 -0.861 . . . . 1.5900000000000001 110.848 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.39 -27.22 69.16 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.954 -1.021 . . . . 0.92000000000000004 110.239 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.59 74.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.166 -0.679 . . . . 0.67000000000000004 109.166 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.46 ' O ' HG13 ' B' ' 57' ' ' ILE . 40.7 t -70.34 -44.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.74 -1.118 . . . . 0.59999999999999998 109.169 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 39.8 mt -64.41 -37.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.694 -1.139 . . . . 0.41999999999999998 111.395 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 11.9 t70 -63.94 -51.02 66.37 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.711 -0.848 . . . . 1.53 108.711 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -50.1 -44.7 52.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.878 -1.055 . . . . 1.77 111.655 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 69.8 mt -67.78 -58.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.17 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' B' ' 69' ' ' VAL . 91.2 t80 -52.67 -46.51 67.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 1.6699999999999999 110.799 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.6 mm100 -68.14 -24.69 65.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 1.9099999999999999 110.734 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.59 -25.41 63.06 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.978 -0.629 . . . . 0.53000000000000003 112.274 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.607 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -92.11 -41.55 10.42 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.518 -0.549 . . . . 0.58999999999999997 109.518 179.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.62 75.27 1.09 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.93 0.871 . . . . 1.3999999999999999 110.381 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.8 -16.72 61.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.919 -1.037 . . . . 1.3100000000000001 110.117 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.01 -21.3 60.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.341 -0.845 . . . . 2.7999999999999998 110.032 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 60.4 27.42 17.01 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 114.965 -1.016 . . . . 2.7200000000000002 110.985 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -114.78 9.67 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 2.1400000000000001 110.36 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.401 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 44.9 mt-10 61.95 51.03 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.376 -0.829 . . . . 2.0099999999999998 110.66 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.48 117.21 11.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 2.1600000000000001 111.146 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.46 HG23 ' CE1' ' B' ' 58' ' ' PHE . 55.4 t -97.88 115.74 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.853 -0.612 . . . . 1.8100000000000001 110.99 175.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.77 172.95 8.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.774 -0.824 . . . . 2.02 108.774 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -53.56 -38.49 63.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.396 0.543 . . . . 2.1800000000000002 110.358 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.639 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 20.4 tt0 -64.24 -43.53 94.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.952 -0.567 . . . . 1.6699999999999999 111.747 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.6 mm-40 -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.499 0.666 . . . . 1.99 109.519 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.506 ' O ' HG23 ' B' ' 78' ' ' VAL . 49.9 t80 -64.69 -26.54 68.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.509 -0.769 . . . . 1.9199999999999999 109.587 173.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.718 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -63.61 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.155 -0.93 . . . . 0.67000000000000004 109.259 175.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.54 ' O ' HD13 ' B' ' 80' ' ' ILE . 23.3 m -59.83 -39.92 86.74 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.446 -0.797 . . . . 0.73999999999999999 109.846 174.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.742 HD22 HD11 ' B' ' 33' ' ' LEU . 15.6 tp -57.55 -46.03 84.39 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.714 0.293 . . . . 1.1399999999999999 110.738 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 74' ' ' PHE . 10.6 t -63.54 -32.43 56.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.655 -0.498 . . . . 0.33000000000000002 109.655 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.82 -49.74 76.51 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.522 0.677 . . . . 0.42999999999999999 109.727 174.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.27 -43.78 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.012 -0.995 . . . . 0.40000000000000002 110.455 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.88 -29.46 58.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.408 -0.814 . . . . 0.28000000000000003 112.645 -173.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 84.4 mt -72.5 -39.18 67.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.932 0.396 . . . . 0.33000000000000002 110.155 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.73 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 27.8 mmmt -64.43 -38.07 89.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.999 -0.741 . . . . 1.6699999999999999 108.999 170.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -64.23 -22.28 66.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.366 -0.379 . . . . 0.47999999999999998 111.453 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.28 -53.83 6.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.833 0.309 . . . . 0.56999999999999995 111.833 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' B' ' 88' ' ' HIS . 43.1 t-80 -85.7 -44.4 12.58 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.26 0.552 . . . . 2.6800000000000002 110.772 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.564 ' C ' ' H ' ' B' ' 89' ' ' THR . 12.1 t80 -83.56 22.78 1.02 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.216 -0.902 . . . . 1.8 109.327 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' B' ' 86' ' ' HIS . 1.1 t60 -47.56 18.08 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.752 2.021 . . . . 3.27 114.917 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.564 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.2 t -87.33 -44.76 11.16 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.228 -0.656 . . . . 1.27 109.228 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 CA--C 1.519 -0.221 0 C-N-CA 124.342 1.057 . . . . 3.4700000000000002 109.152 175.145 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.33 0.11 . . . . 3.1000000000000001 110.978 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.473 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 11.1 tp10 -53.84 -28.54 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.521 0.513 . . . . 2.5099999999999998 112.326 -174.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.458 ' HD2' ' H ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -72.63 -42.76 64.07 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.193 -0.603 . . . . 2.1600000000000001 111.878 178.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.554 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 97.6 mt -81.01 -58.1 3.23 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.486 0.66 . . . . 0.34000000000000002 110.008 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.26 -26.66 65.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.971 -1.013 . . . . 2.4100000000000001 110.006 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -68.86 -44.65 67.8 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.44 111.684 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.625 HG21 HG21 ' A' ' 78' ' ' VAL . 5.4 mm -54.53 -47.93 70.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.523 0.678 . . . . 1.1599999999999999 109.941 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.401 HG13 ' ND1' ' B' ' 86' ' ' HIS . 73.7 t -62.11 -40.94 89.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 0.56999999999999995 111.516 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -73.94 -27.83 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 1.4199999999999999 111.0 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 10' ' ' GLY . 51.1 mt -74.73 -35.35 36.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 120.818 0.342 . . . . 2.0600000000000001 110.746 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.629 -0.878 . . . . 2.5699999999999998 108.629 172.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -67.14 -21.64 65.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.051 -0.977 . . . . 2.23 111.022 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 57.8 tp60 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.507 -0.315 . . . . 2.77 110.777 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 120.844 0.354 . . . . 2.9100000000000001 110.722 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -101.23 -172.75 2.22 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.496 0.554 . . . . 1.3500000000000001 112.496 -172.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.06 -29.16 70.11 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.564 -0.289 . . . . 1.3200000000000001 111.144 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.4 -46.83 86.5 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.263 -0.494 . . . . 0.40000000000000002 113.075 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.26 -46.07 85.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.334 0.588 . . . . 2.4399999999999999 110.33 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.671 HD11 ' HG ' ' A' ' 77' ' ' LEU . 33.0 tp -64.55 -42.42 95.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.069 -0.969 . . . . 0.52000000000000002 110.44 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HA ' HD13 ' A' ' 54' ' ' ILE . 81.1 tttt -55.44 -46.61 76.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.511 . . . . 1.8700000000000001 110.738 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.6 mp0 -59.68 -57.56 12.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 2.46 110.529 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.46 -46.48 63.08 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 121.187 0.518 . . . . 0.45000000000000001 110.67 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.547 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 96.0 mt -65.43 -48.73 71.74 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 112.096 0.406 . . . . 0.45000000000000001 112.096 -176.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -66.93 -30.84 71.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.799 0.333 . . . . 1.23 111.823 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.1 OUTLIER -97.43 -33.11 11.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.919 0.711 . . . . 1.6100000000000001 112.919 -177.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.65 -32.55 11.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.1 -0.24 . . . . 1.6699999999999999 111.539 -170.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' B' ' 8' ' ' LEU . 18.5 mt -120.2 25.51 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.153 0.502 . . . . 1.4199999999999999 109.872 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -49.77 -42.41 46.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.822 -1.081 . . . . 0.78000000000000003 113.317 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -105.82 14.04 28.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.841 0.353 . . . . 2.1600000000000001 111.423 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.47 -58.4 1.88 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.478 0.656 . . . . 0.66000000000000003 110.104 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.0 mt -86.15 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.946 -1.024 . . . . 0.59999999999999998 109.947 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.527 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.72 124.37 18.88 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 110.187 -0.301 . . . . 1.6100000000000001 110.187 -178.683 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.527 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.0 m120 45.63 43.98 9.81 Favored 'General case' 0 CA--C 1.519 -0.227 0 O-C-N 123.815 0.697 . . . . 1.48 111.945 176.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -64.1 -6.4 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.038 0.923 . . . . 0.55000000000000004 110.581 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.6 OUTLIER -84.16 -10.84 57.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.936 -1.029 . . . . 1.1100000000000001 109.932 178.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.41 127.98 37.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.171 -0.922 . . . . 1.5800000000000001 110.685 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -23.82 65.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.562 -0.745 . . . . 0.92000000000000004 110.457 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -35.31 76.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.124 -0.695 . . . . 0.67000000000000004 109.124 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.87 -46.46 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.638 -1.165 . . . . 0.59999999999999998 109.385 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 34' ' ' LYS . 34.8 mt -60.71 -41.04 86.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.871 -1.058 . . . . 0.41999999999999998 111.44 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.5 t70 -63.64 -51.78 63.65 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.965 -0.562 . . . . 1.53 109.57 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -47.46 -45.48 25.99 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.952 0.782 . . . . 1.77 111.516 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.467 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.1 mt -73.97 -52.83 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.367 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -53.49 -44.54 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 1.6799999999999999 110.664 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 15.9 mm100 -70.45 -24.65 62.93 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.179 -0.918 . . . . 1.9199999999999999 110.45 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -25.29 75.57 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.53000000000000003 111.688 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -91.45 -44.29 9.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.339 -0.615 . . . . 0.57999999999999996 109.339 177.105 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.82 73.98 0.59 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.205 -0.907 . . . . 1.3999999999999999 110.29 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -23.37 60.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.102 -0.954 . . . . 1.3 110.519 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.85 -17.72 57.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 2.7999999999999998 110.512 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 60.9 34.12 19.66 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 114.968 -1.015 . . . . 2.7200000000000002 111.565 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -98.12 -4.65 35.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.694 0.759 . . . . 2.1299999999999999 109.385 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 68.48 49.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.184 -1.371 . . . . 2.02 110.27 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -145.89 143.75 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.447 -0.797 . . . . 2.1600000000000001 109.899 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -106.26 108.3 24.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.575 0.702 . . . . 1.8100000000000001 111.294 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.7 167.16 9.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.653 -0.703 . . . . 2.02 109.603 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -59.46 -36.51 76.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.163 -0.68 . . . . 2.1699999999999999 109.163 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.544 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 32.0 tt0 -65.62 -42.31 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.393 -0.821 . . . . 1.6599999999999999 111.069 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.3 mt-10 -72.92 -29.98 63.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.262 0.553 . . . . 1.99 110.09 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 83.8 t80 -73.06 -21.37 60.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.69 0.757 . . . . 1.9199999999999999 109.607 172.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.569 HD13 ' HG2' ' B' ' 83' ' ' LYS . 1.6 mt -72.14 -41.84 67.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.154 -0.93 . . . . 0.67000000000000004 109.895 177.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.621 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.4 p -67.6 -28.84 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.126 -0.488 . . . . 0.73999999999999999 110.031 172.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.671 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.4 tm? -57.64 -48.67 78.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 1.1499999999999999 110.394 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.625 HG21 HG21 ' A' ' 11' ' ' ILE . 26.3 t -66.18 -32.41 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.996 -0.547 . . . . 0.33000000000000002 110.105 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' B' ' 75' ' ' ILE . . . -61.43 -43.33 99.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 0.42999999999999999 110.082 174.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -59.77 -44.79 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.426 -0.807 . . . . 0.40000000000000002 110.516 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -71.68 -29.29 64.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.601 -0.727 . . . . 0.28000000000000003 111.345 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 74.8 mt -67.84 -32.66 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.069 0.462 . . . . 0.33000000000000002 110.027 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' HG2' HD13 ' B' ' 75' ' ' ILE . 0.1 OUTLIER -66.23 -41.34 90.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.058 -0.519 . . . . 1.6699999999999999 109.685 173.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -66.86 -21.42 66.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.355 -0.838 . . . . 0.47999999999999998 111.065 175.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.35 -52.71 6.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.433 -0.349 . . . . 0.56999999999999995 111.699 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -84.79 -54.33 4.76 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.441 0.639 . . . . 2.6800000000000002 110.93 -175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 89' ' ' THR . 2.6 t80 -88.09 24.83 1.73 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.157 -0.929 . . . . 1.8 109.312 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.421 ' HB3' ' O ' ' A' ' 84' ' ' ALA . 5.6 p-80 -45.54 19.26 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 116.769 2.137 . . . . 3.2599999999999998 116.769 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 87' ' ' TYR . 3.9 t -76.01 -44.92 37.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 118.756 0.707 . . . . 1.26 109.296 174.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 . . . . . 0 C--O 1.224 -0.273 0 C-N-CA 123.546 0.738 . . . . 3.4700000000000002 110.144 178.431 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.343 0.116 . . . . 3.1000000000000001 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.476 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 10.8 tp10 -54.21 -28.35 40.41 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.495 0.497 . . . . 2.5099999999999998 112.264 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.45 ' HD2' ' H ' ' B' ' 8' ' ' LEU . 0.3 OUTLIER -72.72 -42.82 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.278 -0.569 . . . . 2.1600000000000001 111.786 178.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.546 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 97.7 mt -81.01 -58.04 3.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.565 0.697 . . . . 0.34000000000000002 110.086 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.16 -26.74 65.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.75 -1.114 . . . . 2.4100000000000001 109.999 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -68.92 -44.47 68.15 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.722 -0.672 . . . . 0.44 111.853 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.622 HG21 HG21 ' B' ' 78' ' ' VAL . 5.5 mm -54.65 -47.76 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.488 0.661 . . . . 1.1599999999999999 109.967 173.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.27 -41.14 90.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.837 -1.074 . . . . 0.56999999999999995 111.469 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -73.73 -27.71 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 1.4199999999999999 111.134 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 51.5 mt -74.88 -35.4 35.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 120.915 0.388 . . . . 2.0600000000000001 110.768 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -62.97 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.661 -0.866 . . . . 2.5800000000000001 108.661 172.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -67.26 -21.71 65.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.007 -0.997 . . . . 2.23 111.029 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 56.3 tp60 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.462 -0.336 . . . . 2.77 110.676 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.6 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 120.882 0.373 . . . . 2.9100000000000001 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -101.2 -172.72 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.485 0.55 . . . . 1.3500000000000001 112.485 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.99 -29.25 70.13 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.389 0.276 . . . . 1.3200000000000001 111.037 -176.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.46 -46.82 86.95 Favored Glycine 0 CA--C 1.517 0.179 0 C-N-CA 121.259 -0.496 . . . . 0.40000000000000002 113.008 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -64.21 -46.03 85.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.582 . . . . 2.4300000000000002 110.294 -178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.668 HD11 ' HG ' ' B' ' 77' ' ' LEU . 33.0 tp -64.54 -42.56 95.65 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.009 -0.996 . . . . 0.52000000000000002 110.424 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.442 ' HA ' HD13 ' B' ' 54' ' ' ILE . 81.3 tttt -55.34 -46.54 76.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.014 -0.539 . . . . 1.8700000000000001 110.833 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.6 mp0 -59.76 -57.46 12.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.43 . . . . 2.4500000000000002 110.54 175.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.63 -46.6 63.72 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.561 0.538 . . . . 0.45000000000000001 110.585 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.55 ' CD1' ' HG ' ' B' ' 33' ' ' LEU . 96.0 mt -65.09 -49.11 71.28 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.032 0.382 . . . . 0.45000000000000001 112.032 -176.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.581 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.1 p -66.59 -30.98 71.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.386 -0.37 . . . . 1.23 111.841 -175.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.1 OUTLIER -97.37 -33.24 11.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.861 0.689 . . . . 1.6200000000000001 112.861 -177.191 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.44 -32.96 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.578 0.228 . . . . 1.6699999999999999 111.462 -170.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 8' ' ' LEU . 18.4 mt -119.91 25.49 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 1.4199999999999999 109.854 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.515 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -49.6 -42.65 45.18 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.803 -1.09 . . . . 0.78000000000000003 113.221 -175.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -105.56 13.44 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.843 0.354 . . . . 2.1600000000000001 111.528 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.05 -58.3 1.9 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.717 0.77 . . . . 0.66000000000000003 110.185 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.0 mt -86.26 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 114.862 -1.063 . . . . 0.59999999999999998 109.923 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.529 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -57.6 124.5 19.28 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 110.124 -0.325 . . . . 1.6100000000000001 110.124 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.529 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.4 m120 45.2 44.15 8.53 Favored 'General case' 0 CA--C 1.519 -0.248 0 O-C-N 123.821 0.701 . . . . 1.48 111.963 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.5 tp -63.94 -6.31 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.957 0.884 . . . . 0.56000000000000005 110.568 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.581 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.6 OUTLIER -84.18 -11.07 57.17 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.012 -0.995 . . . . 1.1100000000000001 109.909 178.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.28 128.08 36.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.17 -0.923 . . . . 1.5900000000000001 110.535 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -23.93 65.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.598 -0.728 . . . . 0.92000000000000004 110.447 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.9 75.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.108 -0.701 . . . . 0.67000000000000004 109.108 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.09 -46.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.701 -1.136 . . . . 0.59999999999999998 109.4 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' B' ' 34' ' ' LYS . 34.7 mt -60.83 -41.04 87.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.867 -1.061 . . . . 0.41999999999999998 111.457 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 24.2 t70 -63.64 -51.68 64.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.474 -0.565 . . . . 1.53 109.474 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -47.41 -45.52 25.51 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.575 -0.739 . . . . 1.77 111.607 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 93.3 mt -74.05 -52.78 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.405 -0.362 . . . . 1.0 111.332 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -53.58 -44.35 69.29 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.899 -0.591 . . . . 1.6699999999999999 110.709 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.8 mm100 -70.58 -24.77 62.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.117 -0.947 . . . . 1.9099999999999999 110.309 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.21 -25.0 75.81 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.965 -0.636 . . . . 0.53000000000000003 111.751 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.3 OUTLIER -91.66 -44.33 9.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.329 -0.619 . . . . 0.58999999999999997 109.329 176.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.412 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 22.1 t70 -70.61 73.97 0.55 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.241 -0.89 . . . . 1.3999999999999999 110.38 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.74 -23.66 60.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.116 -0.947 . . . . 1.3100000000000001 110.464 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -77.87 -17.52 57.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.341 -0.845 . . . . 2.7999999999999998 110.478 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.412 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 74.2 mt-30 60.65 34.38 20.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 114.954 -1.021 . . . . 2.7200000000000002 111.547 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.17 -4.89 34.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.629 0.728 . . . . 2.1400000000000001 109.15 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 68.66 49.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.303 -1.317 . . . . 2.0099999999999998 110.257 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -145.89 144.02 29.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.463 -0.79 . . . . 2.1600000000000001 109.784 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -106.6 108.2 24.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.607 0.718 . . . . 1.8100000000000001 111.243 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.76 167.09 9.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.651 -0.704 . . . . 2.02 109.598 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.47 -36.24 75.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.188 -0.671 . . . . 2.1800000000000002 109.188 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 32.4 tt0 -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.418 -0.81 . . . . 1.6699999999999999 111.077 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.9 mt-10 -72.96 -29.95 63.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.238 0.542 . . . . 1.99 110.038 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.561 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 84.1 t80 -73.12 -21.31 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.646 0.736 . . . . 1.9199999999999999 109.623 172.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.556 HD13 ' HG2' ' A' ' 83' ' ' LYS . 1.6 mt -72.13 -41.84 67.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.231 -0.895 . . . . 0.67000000000000004 109.866 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.616 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.3 p -67.74 -28.82 67.97 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.062 -0.517 . . . . 0.73999999999999999 110.005 172.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.668 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.4 tm? -57.6 -48.54 79.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 1.1399999999999999 110.378 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.622 HG21 HG21 ' B' ' 11' ' ' ILE . 26.4 t -66.31 -32.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.052 -0.522 . . . . 0.33000000000000002 109.988 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 75' ' ' ILE . . . -61.32 -43.33 99.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.28 0.562 . . . . 0.42999999999999999 110.135 174.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.616 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -59.92 -44.77 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.436 -0.802 . . . . 0.40000000000000002 110.432 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.554 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -71.63 -29.38 64.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.637 -0.711 . . . . 0.28000000000000003 111.341 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 74.5 mt -67.89 -32.46 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 0.33000000000000002 109.989 173.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.569 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -66.45 -41.37 89.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.04 -0.527 . . . . 1.6699999999999999 109.704 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -66.72 -21.31 66.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.334 -0.848 . . . . 0.47999999999999998 111.178 175.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.43 -52.72 6.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.33 -0.396 . . . . 0.56999999999999995 111.787 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.401 ' ND1' HG13 ' A' ' 12' ' ' VAL . 2.1 t-160 -84.85 -54.29 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 2.6800000000000002 110.879 -175.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.486 ' O ' ' N ' ' B' ' 89' ' ' THR . 2.5 t80 -88.21 24.84 1.76 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.173 -0.921 . . . . 1.8 109.366 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' B' ' 84' ' ' ALA . 5.6 p-80 -45.6 19.54 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.729 2.122 . . . . 3.27 116.729 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.486 ' N ' ' O ' ' B' ' 87' ' ' TYR . 3.9 t -76.1 -44.78 37.09 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.781 0.719 . . . . 1.27 109.376 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 . . . . . 0 CA--C 1.52 -0.186 0 C-N-CA 123.559 0.744 . . . . 3.4700000000000002 109.959 178.368 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 121.451 0.643 . . . . 3.1000000000000001 110.298 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.49 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 20.9 tt0 -53.94 -22.79 11.01 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.121 -0.945 . . . . 2.5099999999999998 111.254 173.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.614 ' O ' HG13 ' A' ' 11' ' ' ILE . 33.0 m-70 -71.03 -47.68 57.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 122.222 -0.299 . . . . 2.1600000000000001 110.945 -177.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.845 HD13 ' HB1' ' B' ' 81' ' ' ALA . 69.6 mt -73.19 -62.37 1.49 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.602 0.239 . . . . 0.34000000000000002 111.339 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HG3' ' HB1' ' B' ' 85' ' ' ALA . 2.1 mp0 -63.04 -24.67 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 2.4100000000000001 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.634 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -70.02 -43.76 63.79 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.753 -0.658 . . . . 0.44 112.433 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 7' ' ' HIS . 77.3 mt -65.03 -38.88 83.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.357 0.598 . . . . 1.1599999999999999 109.522 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' B' ' 85' ' ' ALA . 86.4 t -61.0 -38.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.181 -0.918 . . . . 0.56999999999999995 110.24 174.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -68.62 -34.67 76.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.582 -0.735 . . . . 1.4199999999999999 110.934 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.634 HG13 ' O ' ' A' ' 10' ' ' GLY . 70.1 mt -60.97 -46.5 96.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.432 -0.349 . . . . 2.0600000000000001 110.299 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 50.9 t80 -64.53 -47.73 77.73 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 2.5699999999999998 109.852 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.55 -25.35 64.46 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.912 -0.586 . . . . 2.23 110.926 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.348 -0.387 . . . . 2.77 110.25 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 110.024 -0.361 . . . . 2.9100000000000001 110.024 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -103.24 -172.25 2.08 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.185 0.439 . . . . 1.3500000000000001 112.185 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.85 -34.07 75.99 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.946 0.35 . . . . 1.3200000000000001 111.946 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.04 -48.73 80.92 Favored Glycine 0 N--CA 1.462 0.382 0 C-N-CA 120.93 -0.652 . . . . 0.40000000000000002 113.705 -173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.94 -31.47 69.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 2.4399999999999999 111.071 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.527 HD11 HD22 ' A' ' 77' ' ' LEU . 23.2 tp -67.95 -44.31 77.06 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.681 -0.691 . . . . 0.52000000000000002 109.369 175.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -54.92 -44.86 74.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.296 -0.866 . . . . 1.8700000000000001 110.995 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.6 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 75.2 mt-30 -54.64 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 2.46 110.23 174.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.97 -46.63 43.83 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.958 0.786 . . . . 0.45000000000000001 110.818 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.525 HD21 HD21 ' A' ' 77' ' ' LEU . 96.3 mt -65.83 -51.64 57.22 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.608 0.595 . . . . 0.45000000000000001 112.608 -176.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 49' ' ' LYS . 37.7 p -67.14 -32.15 73.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.808 0.299 . . . . 1.23 111.808 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 11.4 ptmm? -97.69 -33.17 11.4 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.975 0.731 . . . . 1.6100000000000001 112.975 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 18.2 mm-40 -95.28 -46.83 6.57 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.342 0.591 . . . . 1.6699999999999999 110.518 -173.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.677 ' HG ' HD11 ' B' ' 8' ' ' LEU . 8.2 mp -98.86 23.19 9.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 1.4199999999999999 110.469 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -61.15 -13.58 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.425 -0.807 . . . . 0.78000000000000003 112.629 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.61 -5.75 15.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 2.1600000000000001 111.683 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -110.57 -60.45 1.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.31 -0.556 . . . . 0.66000000000000003 111.566 -169.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.572 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 55.4 mt -79.05 142.41 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.569 -0.742 . . . . 0.59999999999999998 110.094 -175.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -65.12 123.67 20.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.802 -0.444 . . . . 1.6100000000000001 109.802 -176.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.526 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.8 m120 46.76 43.09 12.66 Favored 'General case' 0 CA--C 1.519 -0.226 0 O-C-N 123.679 0.612 . . . . 1.48 111.646 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.572 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -62.46 -7.94 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 122.066 0.936 . . . . 0.55000000000000004 110.781 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -83.34 -13.42 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.874 -1.057 . . . . 1.1100000000000001 110.094 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.3 m-20 -88.54 128.94 35.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.177 -0.92 . . . . 1.5800000000000001 110.526 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.04 -30.58 71.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.319 -0.855 . . . . 0.92000000000000004 110.384 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.647 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -67.2 -36.84 82.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.226 -0.657 . . . . 0.67000000000000004 109.226 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' HD13 ' A' ' 57' ' ' ILE . 23.3 t -72.78 -46.19 54.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.774 -1.103 . . . . 0.59999999999999998 109.588 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 50' ' ' ASP . 44.7 mt -58.63 -34.99 52.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.577 -0.738 . . . . 0.41999999999999998 110.955 177.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.89 -47.11 75.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.247 -1.019 . . . . 1.53 108.247 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.647 ' HG3' ' O ' ' A' ' 52' ' ' ALA . 42.0 mt-10 -55.52 -46.12 77.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.661 -1.154 . . . . 1.77 111.683 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.6 mp -67.4 -56.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.744 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.21 -45.44 79.86 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.807 -0.633 . . . . 1.6799999999999999 110.583 -175.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.627 HE21 ' HA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -67.63 -26.56 66.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.589 -0.732 . . . . 1.9199999999999999 110.747 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.3 -25.6 75.15 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.693 -0.765 . . . . 0.53000000000000003 111.855 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.41 -41.75 9.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.611 -0.514 . . . . 0.57999999999999996 109.611 177.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.32 73.4 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 1.3999999999999999 110.215 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.15 -17.74 51.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.288 -0.869 . . . . 1.3 109.578 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.83 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -1.059 . . . . 2.7999999999999998 110.286 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 60.06 40.27 18.76 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 114.61 -1.177 . . . . 2.7200000000000002 112.554 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -122.02 6.04 9.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.407 0.622 . . . . 2.1299999999999999 110.129 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 62.86 59.41 1.39 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.934 -1.03 . . . . 2.02 110.12 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -148.97 116.18 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 2.1600000000000001 110.336 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 73' ' ' GLU . 3.7 p -95.79 105.17 16.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.664 -0.698 . . . . 1.8100000000000001 110.268 176.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.11 178.6 8.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.172 -0.467 . . . . 2.02 109.783 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.406 ' CE2' ' HD2' ' A' ' 15' ' ' PHE . 55.4 m-85 -62.5 -30.3 71.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.958 0.409 . . . . 2.1699999999999999 110.007 175.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 7.8 tt0 -69.05 -43.91 73.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 1.6599999999999999 110.986 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -67.47 -38.13 83.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.911 -0.774 . . . . 1.99 108.911 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.502 ' CD1' HD23 ' A' ' 77' ' ' LEU . 84.0 t80 -64.3 -27.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.076 -0.965 . . . . 1.9199999999999999 110.47 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -64.89 -40.77 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.825 -0.625 . . . . 0.67000000000000004 109.552 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.518 ' O ' HD13 ' A' ' 80' ' ' ILE . 70.5 m -62.93 -38.17 89.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.466 -0.788 . . . . 0.73999999999999999 110.069 174.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 33' ' ' LEU . 19.0 tp -57.21 -44.8 84.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.506 -0.316 . . . . 1.1499999999999999 111.037 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.547 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 22.0 t -66.82 -30.67 50.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.989 -0.374 . . . . 0.33000000000000002 109.989 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -63.06 -47.34 83.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.15 0.5 . . . . 0.42999999999999999 109.949 173.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -58.84 -41.39 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.44 -0.8 . . . . 0.40000000000000002 110.62 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.883 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.05 -41.23 59.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.451 -0.795 . . . . 0.28000000000000003 112.019 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.2 mt -61.85 -36.46 81.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.403 0.62 . . . . 0.33000000000000002 109.346 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.486 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 3.7 tmtp? -64.56 -41.99 95.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.191 -0.913 . . . . 1.6699999999999999 109.933 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.7 65.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.157 -0.474 . . . . 0.47999999999999998 111.215 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.72 -59.64 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.271 -0.422 . . . . 0.56999999999999995 111.384 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -76.21 -47.94 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.6 0.714 . . . . 2.6800000000000002 110.952 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.59 ' C ' ' H ' ' A' ' 89' ' ' THR . 13.6 t80 -88.68 25.66 1.68 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.61 -1.177 . . . . 1.8 109.688 -177.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.51 ' C ' ' H ' ' A' ' 90' ' ' HIS . 33.3 t60 -47.32 16.82 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.755 1.622 . . . . 3.2599999999999998 114.787 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.59 ' H ' ' C ' ' A' ' 87' ' ' TYR . 14.7 t -79.74 17.64 0.89 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.932 0.873 . . . . 1.26 108.987 171.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 88' ' ' HIS . 20.1 m170 . . . . . 0 CA--C 1.513 -0.469 0 CA-C-N 114.061 -1.427 . . . . 3.4700000000000002 109.797 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 121.397 0.618 . . . . 3.1000000000000001 110.217 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.49 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 20.7 tt0 -53.98 -22.61 10.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.142 -0.936 . . . . 2.5099999999999998 111.317 173.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.618 ' O ' HG13 ' B' ' 11' ' ' ILE . 32.6 m-70 -71.07 -47.77 56.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.253 -0.28 . . . . 2.1600000000000001 110.876 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.883 HD13 ' HB1' ' A' ' 81' ' ' ALA . 69.8 mt -73.17 -62.46 1.46 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.541 0.21 . . . . 0.34000000000000002 111.358 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' B' ' 8' ' ' LEU . 2.2 mp0 -62.96 -24.47 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 2.4100000000000001 110.338 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.654 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -70.36 -43.45 62.38 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.637 -0.71 . . . . 0.44 112.514 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 7' ' ' HIS . 77.4 mt -65.24 -39.01 84.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 117.392 0.596 . . . . 1.1599999999999999 109.46 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 85' ' ' ALA . 88.9 t -60.7 -39.06 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.218 -0.901 . . . . 0.56999999999999995 110.308 174.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.565 -0.743 . . . . 1.4199999999999999 110.807 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.654 HG13 ' O ' ' B' ' 10' ' ' GLY . 70.2 mt -61.12 -46.23 97.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.507 -0.315 . . . . 2.0600000000000001 110.317 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.41 ' HB2' ' CZ ' ' B' ' 74' ' ' PHE . 50.8 t80 -64.55 -47.77 77.53 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.838 -0.43 . . . . 2.5800000000000001 109.838 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -59.69 -25.08 64.47 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 2.23 110.965 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 2.77 110.275 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.124 -0.325 . . . . 2.9100000000000001 110.124 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -103.26 -172.11 2.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.142 0.423 . . . . 1.3500000000000001 112.142 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.88 -34.29 76.37 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 111.919 0.34 . . . . 1.3200000000000001 111.919 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.53 -49.4 73.74 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 120.916 -0.659 . . . . 0.40000000000000002 113.645 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.54 -31.35 69.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.058 0.456 . . . . 2.4300000000000002 111.149 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.512 HD11 HD22 ' B' ' 77' ' ' LEU . 23.5 tp -68.01 -44.23 77.02 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.74 -0.664 . . . . 0.52000000000000002 109.364 175.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.79 -45.23 74.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.332 -0.849 . . . . 1.8700000000000001 110.935 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.592 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 75.4 mt-30 -54.44 -62.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 2.4500000000000002 110.2 174.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.93 -46.7 43.57 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.569 -0.741 . . . . 0.45000000000000001 110.905 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.539 HD21 HD21 ' B' ' 77' ' ' LEU . 96.2 mt -65.76 -51.65 57.43 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 112.548 0.573 . . . . 0.45000000000000001 112.548 -176.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.619 HG22 ' HA ' ' B' ' 49' ' ' LYS . 37.2 p -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 111.849 0.315 . . . . 1.23 111.849 -174.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 11.4 ptmm? -97.67 -33.18 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.981 0.734 . . . . 1.6200000000000001 112.981 -176.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.485 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 18.4 mm-40 -95.13 -46.99 6.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.6699999999999999 110.537 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 8' ' ' LEU . 8.1 mp -98.73 23.22 9.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 1.4199999999999999 110.543 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -61.29 -13.36 18.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.463 -0.789 . . . . 0.78000000000000003 112.666 -177.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.53 -6.18 14.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.668 0.247 . . . . 2.1600000000000001 111.668 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -110.51 -60.28 1.83 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.149 0.5 . . . . 0.66000000000000003 111.708 -169.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 55.3 mt -79.29 142.35 14.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.635 -0.712 . . . . 0.59999999999999998 110.108 -175.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.52 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -65.11 123.68 20.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.965 -0.383 . . . . 1.6100000000000001 109.965 -176.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.52 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 10.3 m120 46.63 43.3 12.46 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 123.631 0.582 . . . . 1.48 111.545 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.4 tp -62.61 -7.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.903 0.858 . . . . 0.56000000000000005 110.691 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.619 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.3 mmmm -83.48 -13.21 55.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.937 -1.029 . . . . 1.1100000000000001 110.055 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.423 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.2 m-20 -88.57 128.66 35.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.039 -0.982 . . . . 1.5900000000000001 110.61 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.75 -30.72 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.24 -0.891 . . . . 0.92000000000000004 110.361 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.652 ' O ' ' HG3' ' B' ' 56' ' ' GLU . . . -67.24 -36.91 82.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.157 -0.682 . . . . 0.67000000000000004 109.157 177.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.468 ' O ' HD13 ' B' ' 57' ' ' ILE . 23.4 t -72.63 -46.36 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.77 -1.104 . . . . 0.59999999999999998 109.595 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 50' ' ' ASP . 44.0 mt -58.45 -35.14 52.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.445 -0.798 . . . . 0.41999999999999998 110.831 177.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.71 -47.37 75.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.216 -1.031 . . . . 1.53 108.216 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.652 ' HG3' ' O ' ' B' ' 52' ' ' ALA . 42.8 mt-10 -55.57 -45.88 77.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.728 -1.124 . . . . 1.77 111.635 177.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.538 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.6 mp -67.35 -56.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.753 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.08 -45.44 79.38 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.734 -0.666 . . . . 1.6699999999999999 110.572 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.626 HE21 ' HA ' ' B' ' 59' ' ' GLN . 0.0 OUTLIER -67.76 -26.49 66.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.597 -0.729 . . . . 1.9099999999999999 110.795 179.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.58 75.03 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.676 -0.773 . . . . 0.53000000000000003 111.846 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.35 -42.11 9.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.486 -0.561 . . . . 0.58999999999999997 109.486 177.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.93 73.3 1.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.449 -0.796 . . . . 1.3999999999999999 110.225 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.88 -18.1 51.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.382 -0.826 . . . . 1.3100000000000001 109.663 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -74.03 -18.79 60.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.824 -1.08 . . . . 2.7999999999999998 110.387 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.02 39.89 19.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.749 -1.114 . . . . 2.7200000000000002 112.569 174.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -121.67 6.1 10.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.319 0.58 . . . . 2.1400000000000001 110.155 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 62.8 59.36 1.42 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.078 -0.965 . . . . 2.0099999999999998 110.085 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.94 116.25 6.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.307 -0.86 . . . . 2.1600000000000001 110.361 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' B' ' 73' ' ' GLU . 3.7 p -95.87 105.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.611 -0.722 . . . . 1.8100000000000001 110.246 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -80.1 178.68 8.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.053 -0.521 . . . . 2.02 109.769 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.67 -30.25 71.25 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.56 -0.456 . . . . 2.1800000000000002 110.028 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 7.8 tt0 -68.83 -44.29 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 1.6699999999999999 110.955 175.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.4 mm-40 -67.16 -38.15 84.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.874 -0.788 . . . . 1.99 108.874 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.489 ' CD1' HD23 ' B' ' 77' ' ' LEU . 84.0 t80 -64.28 -27.33 68.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.04 -0.982 . . . . 1.9199999999999999 110.434 174.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.553 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -65.18 -40.54 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.878 -0.601 . . . . 0.67000000000000004 109.498 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.54 ' O ' HD13 ' B' ' 80' ' ' ILE . 66.8 m -63.18 -38.02 89.51 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.59 -0.732 . . . . 0.73999999999999999 110.066 174.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.539 HD21 HD21 ' B' ' 37' ' ' LEU . 19.4 tp -57.23 -44.8 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.473 -0.33 . . . . 1.1399999999999999 111.044 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.1 t -66.98 -30.59 50.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.937 -0.394 . . . . 0.33000000000000002 109.937 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.81 -47.69 82.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.183 0.516 . . . . 0.42999999999999999 109.956 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -58.71 -41.32 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 0.40000000000000002 110.541 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.845 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -74.98 -41.4 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.444 -0.798 . . . . 0.28000000000000003 112.07 -174.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 89.1 mt -61.78 -36.46 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.408 0.623 . . . . 0.33000000000000002 109.37 174.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.471 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 3.7 tmtp? -64.54 -42.02 95.99 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.125 -0.943 . . . . 1.6699999999999999 109.951 174.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.71 65.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.254 -0.43 . . . . 0.47999999999999998 111.124 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.438 ' HB1' ' HG3' ' A' ' 9' ' ' GLU . . . -80.76 -59.23 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.384 -0.371 . . . . 0.56999999999999995 111.535 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -76.62 -48.03 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.708 0.766 . . . . 2.6800000000000002 110.786 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.592 ' C ' ' H ' ' B' ' 89' ' ' THR . 13.5 t80 -88.49 25.73 1.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.632 -1.167 . . . . 1.8 109.644 -177.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' B' ' 90' ' ' HIS . 32.6 t60 -47.58 17.27 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.724 1.61 . . . . 3.27 114.77 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.592 ' H ' ' C ' ' B' ' 87' ' ' TYR . 13.5 t -80.11 17.79 0.95 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.754 0.787 . . . . 1.27 108.968 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' B' ' 88' ' ' HIS . 20.3 m170 . . . . . 0 CA--C 1.511 -0.527 0 CA-C-N 114.206 -1.361 . . . . 3.4700000000000002 109.662 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 113.9 1.074 . . . . 3.1000000000000001 113.9 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.34 -34.3 46.64 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.004 0.742 . . . . 2.5099999999999998 113.004 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -78.28 -35.08 48.45 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.109 -0.37 . . . . 2.1600000000000001 111.727 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.692 HD13 ' HB1' ' B' ' 81' ' ' ALA . 62.1 mt -83.75 -54.84 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.048 0.452 . . . . 0.34000000000000002 109.927 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.03 -27.9 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.434 -0.803 . . . . 2.4100000000000001 110.423 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.429 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.71 -52.13 41.11 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.565 -0.743 . . . . 0.44 111.785 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 78' ' ' VAL . 15.0 mm -54.84 -48.18 74.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.045 0.45 . . . . 1.1599999999999999 110.438 175.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.84 -44.2 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 0.56999999999999995 111.423 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.61 -40.87 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 1.4199999999999999 110.555 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 10' ' ' GLY . 22.1 mm -61.28 -44.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 2.0600000000000001 110.698 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 44.5 t80 -61.28 -46.14 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 2.5699999999999998 110.088 177.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -63.28 -21.88 66.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 2.23 111.155 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.496 -0.32 . . . . 2.77 111.627 -177.743 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.795 0.807 . . . . 2.9100000000000001 109.02 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 p -92.39 -171.04 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.09 -0.959 . . . . 1.3500000000000001 111.699 -173.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 22.3 ttmt -52.59 -29.85 27.98 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.553 -0.294 . . . . 1.3200000000000001 111.573 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -47.01 91.63 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.229 -0.51 . . . . 0.40000000000000002 113.193 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -63.73 -44.09 94.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.362 0.601 . . . . 2.4399999999999999 110.044 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 27.2 tp -60.23 -51.66 68.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.868 -1.06 . . . . 0.52000000000000002 109.617 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 80.8 tttt -53.93 -48.65 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.342 -0.844 . . . . 1.8700000000000001 111.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.72 -56.98 12.62 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.38 0.425 . . . . 2.46 110.232 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.8 tt -53.56 -50.48 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.185 -0.461 . . . . 0.45000000000000001 110.546 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 97.0 mt -59.48 -52.05 67.25 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.887 0.699 . . . . 0.45000000000000001 112.887 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 34' ' ' LYS . 9.6 t -64.14 -30.9 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.504 0.193 . . . . 1.23 111.498 -173.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.4 -30.96 12.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 113.117 0.784 . . . . 1.6100000000000001 113.117 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 57.1 mm-40 -95.65 -40.43 9.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.109 0.481 . . . . 1.6699999999999999 111.533 -174.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' B' ' 8' ' ' LEU . 8.0 mp -107.85 18.19 21.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 1.4199999999999999 110.842 -172.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -50.64 -36.29 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.515 -0.766 . . . . 0.78000000000000003 112.527 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -109.17 20.24 18.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.721 0.267 . . . . 2.1600000000000001 111.721 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.414 HG21 ' CD1' ' B' ' 8' ' ' LEU . 17.6 m -116.91 -64.55 1.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.279 0.561 . . . . 0.66000000000000003 110.964 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.602 ' HA ' ' HB1' ' A' ' 84' ' ' ALA . 41.2 mt -80.75 138.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.782 -0.645 . . . . 0.59999999999999998 110.456 -176.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.16 121.18 8.85 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.119 -0.491 . . . . 1.6100000000000001 109.923 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.6 m-20 45.09 44.48 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.53 -0.759 . . . . 1.48 111.844 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -59.8 -6.92 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.842 0.829 . . . . 0.55000000000000004 111.21 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.76 -9.55 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.357 -0.838 . . . . 1.1100000000000001 109.949 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' O ' HG13 ' A' ' 54' ' ' ILE . 2.3 m-20 -89.88 128.47 36.2 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.292 -0.867 . . . . 1.5800000000000001 110.889 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.595 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 23.8 tptm -63.05 -28.49 70.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.12 -0.946 . . . . 0.92000000000000004 110.23 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -69.21 -34.41 74.82 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.245 -0.65 . . . . 0.67000000000000004 109.245 177.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 38.3 t -73.61 -48.9 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.857 -1.065 . . . . 0.59999999999999998 109.321 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.437 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 25.4 mt -59.13 -37.04 65.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.977 -1.011 . . . . 0.41999999999999998 111.331 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.44 -43.08 82.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.888 -0.597 . . . . 1.53 109.74 178.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 40.0 mm-40 -53.39 -48.85 68.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.191 -0.913 . . . . 1.77 110.735 174.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.612 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.6 mt -68.05 -53.98 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.965 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -51.34 -46.37 62.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.296 -0.865 . . . . 1.6799999999999999 110.904 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -68.6 -24.82 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 1.9199999999999999 111.148 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.02 -21.87 75.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.859 -0.686 . . . . 0.53000000000000003 112.353 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.648 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -96.3 -44.73 7.12 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.759 -0.46 . . . . 0.57999999999999996 109.759 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 34.6 t70 -70.25 71.18 0.42 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 124.032 0.832 . . . . 1.3999999999999999 110.3 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 -21.85 41.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.124 -0.944 . . . . 1.3 110.055 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -83.9 -13.99 52.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 2.7999999999999998 110.604 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 91.6 mt-30 65.13 40.0 5.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.936 -1.029 . . . . 2.7200000000000002 111.87 173.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.13 -3.19 26.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.992 0.425 . . . . 2.1299999999999999 110.12 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 62.78 30.49 16.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.329 -0.85 . . . . 2.02 109.719 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.59 118.58 12.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.203 -0.908 . . . . 2.1600000000000001 109.666 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.74 106.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.893 0.377 . . . . 1.8100000000000001 110.825 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.64 166.13 23.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 2.02 109.722 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -56.37 -40.11 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 2.1699999999999999 110.595 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.563 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 37.4 tt0 -75.47 -32.06 60.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.363 0.602 . . . . 1.6599999999999999 111.074 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.5 mt-10 -71.68 -26.73 62.64 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.422 0.63 . . . . 1.99 109.635 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 65.1 t80 -76.31 -21.49 56.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.464 -0.569 . . . . 1.9199999999999999 109.464 171.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.563 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -62.86 -44.13 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.71 -0.848 . . . . 0.67000000000000004 108.71 174.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.616 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.36 -30.33 68.31 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.599 -0.728 . . . . 0.73999999999999999 110.787 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.6 tm? -56.42 -47.58 78.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.428 . . . . 1.1499999999999999 109.856 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.612 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.4 t -66.48 -31.58 54.23 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 115.944 -0.571 . . . . 0.33000000000000002 110.222 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' B' ' 75' ' ' ILE . . . -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.516 0.674 . . . . 0.42999999999999999 109.805 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.72 -43.66 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.879 -1.055 . . . . 0.40000000000000002 110.241 174.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.695 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.52 -33.64 60.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.961 . . . . 0.28000000000000003 112.824 -172.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 99.4 mt -67.55 -41.66 83.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.176 0.513 . . . . 0.33000000000000002 110.291 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.5 ' HG3' HD13 ' B' ' 75' ' ' ILE . 5.6 mttt -74.99 -23.94 58.35 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.852 -0.739 . . . . 1.6699999999999999 110.57 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -67.61 -23.61 65.39 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 0.47999999999999998 110.228 170.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.81 -51.69 7.43 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.56999999999999995 111.355 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 88' ' ' HIS . 41.2 t-80 -82.35 -55.42 4.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.298 0.571 . . . . 2.6800000000000002 110.957 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.515 ' C ' ' H ' ' A' ' 89' ' ' THR . 7.3 t80 -78.69 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.958 -1.019 . . . . 1.8 109.918 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.6 p-80 -52.0 18.57 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.223 1.564 . . . . 3.2599999999999998 115.223 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.515 ' H ' ' C ' ' A' ' 87' ' ' TYR . 4.3 t -77.24 -35.7 55.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.438 -1.319 . . . . 1.26 107.438 175.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 89' ' ' THR . 11.0 p80 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 113.066 -1.879 . . . . 3.4700000000000002 106.585 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 113.911 1.078 . . . . 3.1000000000000001 113.911 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -52.24 -34.66 46.97 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.051 0.76 . . . . 2.5099999999999998 113.051 -169.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -77.97 -35.07 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.242 -0.286 . . . . 2.1600000000000001 111.704 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.695 HD13 ' HB1' ' A' ' 81' ' ' ALA . 61.7 mt -83.74 -54.79 4.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 0.34000000000000002 109.95 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.19 -27.81 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.365 -0.834 . . . . 2.4100000000000001 110.376 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.432 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.92 -51.93 41.74 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.67 -0.696 . . . . 0.44 111.77 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.536 HG21 HG21 ' B' ' 78' ' ' VAL . 15.0 mm -55.01 -48.1 76.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.025 0.441 . . . . 1.1599999999999999 110.493 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.13 -43.86 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.558 -0.746 . . . . 0.56999999999999995 111.498 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -65.75 -41.03 92.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 1.4199999999999999 110.556 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.437 HG22 HD11 ' B' ' 36' ' ' LEU . 22.3 mm -61.09 -44.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.626 . . . . 2.0600000000000001 110.782 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 44.4 t80 -61.43 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 2.5800000000000001 110.15 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.46 -22.13 66.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.99 -0.55 . . . . 2.23 111.083 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.282 -0.417 . . . . 2.77 111.631 -177.538 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.6 tp . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 121.873 0.844 . . . . 2.9100000000000001 108.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -92.53 -171.06 2.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 1.3500000000000001 111.725 -173.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 22.3 ttmt -52.61 -29.76 27.66 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 122.374 0.269 . . . . 1.3200000000000001 111.695 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.73 -47.07 91.13 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.374 -0.441 . . . . 0.40000000000000002 113.21 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -63.6 -44.25 94.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.332 0.587 . . . . 2.4300000000000002 110.144 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.644 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.3 tp -60.21 -51.47 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.931 -1.031 . . . . 0.52000000000000002 109.639 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.445 ' O ' HG22 ' B' ' 38' ' ' THR . 80.9 tttt -54.11 -48.57 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 1.8700000000000001 111.413 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.74 -56.87 13.61 Favored 'General case' 0 CA--C 1.519 -0.216 0 O-C-N 123.451 0.469 . . . . 2.4500000000000002 110.267 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.437 HD11 HG22 ' B' ' 14' ' ' ILE . 9.8 tt -53.73 -50.48 65.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.128 -0.487 . . . . 0.45000000000000001 110.502 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.4 mt -59.73 -51.82 68.15 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.843 0.683 . . . . 0.45000000000000001 112.843 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.445 HG22 ' O ' ' B' ' 34' ' ' LYS . 9.6 t -64.04 -31.06 72.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.507 0.194 . . . . 1.23 111.514 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -31.19 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.164 0.802 . . . . 1.6200000000000001 113.164 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 56.7 mm-40 -95.67 -40.29 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.214 0.53 . . . . 1.6699999999999999 111.619 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 8' ' ' LEU . 7.9 mp -107.58 18.08 21.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.428 -0.806 . . . . 1.4199999999999999 110.978 -172.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -50.76 -35.78 33.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.439 -0.8 . . . . 0.78000000000000003 112.573 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -109.52 19.73 18.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.679 -0.237 . . . . 2.1600000000000001 111.614 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.403 HG21 ' CD1' ' A' ' 8' ' ' LEU . 17.9 m -116.5 -65.11 1.22 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.112 0.482 . . . . 0.66000000000000003 110.835 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.598 ' HA ' ' HB1' ' B' ' 84' ' ' ALA . 41.4 mt -80.13 139.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.878 -0.601 . . . . 0.59999999999999998 110.466 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.456 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.36 121.1 8.79 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.095 -0.502 . . . . 1.6100000000000001 109.876 -177.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.456 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 45.21 44.47 8.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.614 -0.721 . . . . 1.48 111.72 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -59.95 -6.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.859 0.838 . . . . 0.56000000000000005 111.218 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.0 -9.13 57.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.305 -0.861 . . . . 1.1100000000000001 110.055 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.419 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.4 m-20 -90.26 128.84 36.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.328 -0.851 . . . . 1.5900000000000001 110.836 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.591 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 23.7 tptm -63.35 -28.4 69.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.16 -0.927 . . . . 0.92000000000000004 110.211 176.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -69.27 -34.47 74.81 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.295 -0.631 . . . . 0.67000000000000004 109.295 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.452 ' O ' HG13 ' B' ' 57' ' ' ILE . 38.1 t -73.47 -48.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.807 -1.088 . . . . 0.59999999999999998 109.355 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 25.4 mt -58.98 -37.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.939 -1.028 . . . . 0.41999999999999998 111.286 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.2 OUTLIER -67.59 -43.15 81.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.924 -0.58 . . . . 1.53 109.66 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 40.3 mm-40 -53.28 -48.84 67.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.168 -0.923 . . . . 1.77 110.703 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.1 mt -68.19 -54.05 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.958 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.22 -46.39 62.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.315 -0.857 . . . . 1.6699999999999999 110.894 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -68.88 -24.12 64.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.725 -0.67 . . . . 1.9099999999999999 111.244 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.46 -21.92 74.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.53000000000000003 112.278 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.652 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.4 OUTLIER -96.36 -44.56 7.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.86 -0.422 . . . . 0.58999999999999997 109.86 178.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 34.3 t70 -70.15 71.15 0.4 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.262 -0.881 . . . . 1.3999999999999999 110.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.47 -22.37 41.13 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.29 -0.868 . . . . 1.3100000000000001 110.012 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -83.3 -14.54 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.13 -0.941 . . . . 2.7999999999999998 110.55 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 92.6 mt-30 65.71 40.17 4.5 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 114.823 -1.08 . . . . 2.7200000000000002 111.885 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.22 -3.23 26.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 2.1400000000000001 110.198 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 63.12 29.89 16.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.211 -0.904 . . . . 2.0099999999999998 109.791 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -139.18 118.52 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.234 -0.894 . . . . 2.1600000000000001 109.656 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.409 HG21 HD22 ' B' ' 33' ' ' LEU . 21.2 t -70.61 106.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.977 0.418 . . . . 1.8100000000000001 110.842 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.83 166.14 23.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 2.02 109.678 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -56.35 -40.01 73.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.789 0.328 . . . . 2.1800000000000002 110.624 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.562 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 37.0 tt0 -75.56 -32.05 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.308 0.575 . . . . 1.6699999999999999 111.059 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.652 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.6 mt-10 -71.59 -26.81 62.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.436 0.636 . . . . 1.99 109.613 174.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 64.8 t80 -76.35 -21.38 56.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.552 -0.536 . . . . 1.9199999999999999 109.552 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.562 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -62.66 -44.25 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.724 -0.843 . . . . 0.67000000000000004 108.724 174.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.628 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.8 p -69.49 -30.25 68.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.538 -0.756 . . . . 0.73999999999999999 110.846 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.6 tm? -56.32 -47.72 78.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.693 -0.484 . . . . 1.1399999999999999 109.693 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.608 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 26.7 t -66.45 -31.5 53.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-N 115.946 -0.57 . . . . 0.33000000000000002 110.229 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 75' ' ' ILE . . . -59.89 -49.43 77.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.558 0.694 . . . . 0.42999999999999999 109.714 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.628 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.77 -43.65 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.968 -1.015 . . . . 0.40000000000000002 110.198 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.57 -33.73 60.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.081 -0.963 . . . . 0.28000000000000003 112.763 -172.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 99.4 mt -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.059 0.457 . . . . 0.33000000000000002 110.299 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.507 ' HG3' HD13 ' A' ' 75' ' ' ILE . 5.6 mttt -75.1 -23.78 58.01 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.901 -0.719 . . . . 1.6699999999999999 110.64 175.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.598 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -67.75 -23.63 65.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 0.47999999999999998 110.123 170.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.75 -51.63 7.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 0.56999999999999995 111.357 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.478 ' C ' ' H ' ' B' ' 88' ' ' HIS . 41.1 t-80 -82.59 -55.2 4.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.437 0.637 . . . . 2.6800000000000002 111.029 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.495 ' C ' ' H ' ' B' ' 89' ' ' THR . 7.2 t80 -78.68 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.008 -0.996 . . . . 1.8 109.942 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.6 p-80 -52.1 18.67 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.03 1.493 . . . . 3.27 115.03 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.495 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -77.27 -35.96 54.73 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 107.327 -1.36 . . . . 1.27 107.327 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' B' ' 89' ' ' THR . 11.0 p80 . . . . . 0 N--CA 1.451 -0.412 0 CA-C-N 113.088 -1.869 . . . . 3.4700000000000002 106.668 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.224 -0.252 0 N-CA-C 110.257 -0.275 . . . . 3.1000000000000001 110.257 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.556 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 2.5 tm-20 -55.79 -35.68 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 2.5099999999999998 111.442 -172.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.454 ' O ' HG13 ' A' ' 11' ' ' ILE . 15.4 m170 -70.37 -58.2 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.698 -0.401 . . . . 2.1600000000000001 111.064 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.657 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 82.9 mt -70.47 -60.92 1.98 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.378 0.609 . . . . 0.34000000000000002 111.37 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -69.93 -23.2 63.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.577 -0.738 . . . . 2.4100000000000001 109.725 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.604 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.2 -43.37 95.52 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.467 -0.873 . . . . 0.44 111.877 174.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 7' ' ' HIS . 84.0 mt -65.36 -41.29 90.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.178 0.513 . . . . 1.1599999999999999 110.08 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.18 -42.27 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 0.56999999999999995 110.357 175.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.81 -37.22 85.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.514 -0.767 . . . . 1.4199999999999999 111.007 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.6 mm -61.34 -47.66 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.0600000000000001 110.474 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.478 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.1 t80 -68.43 -36.14 78.63 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.67 -0.493 . . . . 2.5699999999999998 109.67 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.36 -24.38 67.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.487 -0.779 . . . . 2.23 111.114 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 2.77 110.953 -179.617 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 45.4 mt . . . . . 0 C--O 1.224 -0.278 0 CA-C-O 121.014 0.435 . . . . 2.9100000000000001 110.789 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -103.22 -177.92 3.51 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.475 -0.49 . . . . 1.3500000000000001 111.774 -173.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.3 ttmp? -61.24 -34.05 74.5 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 111.725 0.268 . . . . 1.3200000000000001 111.725 -174.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -44.48 94.71 Favored Glycine 0 C--O 1.235 0.209 0 C-N-CA 120.858 -0.687 . . . . 0.40000000000000002 113.013 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.22 -41.43 73.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.111 0.481 . . . . 2.4399999999999999 110.448 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.9 tp -62.75 -43.36 98.99 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.531 -0.758 . . . . 0.52000000000000002 109.904 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.8 tttt -56.99 -49.34 76.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 1.8700000000000001 110.935 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -55.59 -54.39 44.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.906 -0.588 . . . . 2.46 109.662 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -52.41 -57.28 10.32 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.964 -0.562 . . . . 0.45000000000000001 110.308 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.6 mt -59.22 -46.6 88.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.74 0.645 . . . . 0.45000000000000001 112.74 -173.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 49' ' ' LYS . 25.0 p -64.94 -35.25 80.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.887 0.328 . . . . 1.23 111.887 -174.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -96.9 -30.32 13.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.472 0.545 . . . . 1.6100000000000001 112.472 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -90.91 -44.26 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.882 0.372 . . . . 1.6699999999999999 111.024 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD22 HD11 ' B' ' 8' ' ' LEU . 19.9 mt -114.79 25.16 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.045 -0.525 . . . . 1.4199999999999999 110.356 -171.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.83 -40.99 31.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.088 -0.96 . . . . 0.78000000000000003 113.016 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.3 11.64 37.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.832 0.308 . . . . 2.1600000000000001 111.832 -172.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.401 HG21 ' CD1' ' B' ' 8' ' ' LEU . 19.1 m -108.86 -63.29 1.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.43 0.634 . . . . 0.66000000000000003 110.62 -177.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 51.7 mt -80.11 131.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.236 -0.893 . . . . 0.59999999999999998 109.493 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.75 125.57 21.82 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.571 -0.286 . . . . 1.6100000000000001 110.425 -176.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 18.2 m120 46.22 42.6 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.65 . . . . 1.48 111.696 176.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -64.33 -3.75 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.981 0.896 . . . . 0.55000000000000004 110.699 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -84.32 -13.94 51.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.074 -0.966 . . . . 1.1100000000000001 109.833 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.44 128.57 35.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.17 -0.923 . . . . 1.5800000000000001 110.787 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.81 68.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.718 . . . . 0.92000000000000004 110.055 179.015 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.86 -37.96 85.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.944 -0.762 . . . . 0.67000000000000004 108.944 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.471 ' O ' HD13 ' A' ' 57' ' ' ILE . 30.9 t -71.12 -48.99 51.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.684 -1.144 . . . . 0.59999999999999998 109.457 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.1 mt -58.93 -37.46 67.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.32 -0.855 . . . . 0.41999999999999998 111.888 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -65.28 -45.08 85.87 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.826 -0.805 . . . . 1.53 108.826 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 39.0 mm-40 -53.95 -49.67 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.84 -1.073 . . . . 1.77 111.282 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -64.41 -52.42 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.682 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 94.1 t80 -57.04 -45.19 83.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.386 -0.824 . . . . 1.6799999999999999 110.453 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.22 -24.66 66.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.7 -0.682 . . . . 1.9199999999999999 110.842 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.97 73.06 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.71 -0.757 . . . . 0.53000000000000003 111.925 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.571 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -95.79 -43.99 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.089 -0.337 . . . . 0.57999999999999996 110.089 179.234 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 35.9 t70 -72.78 72.61 1.07 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.258 -0.883 . . . . 1.3999999999999999 110.058 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.71 -31.45 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.224 -0.898 . . . . 1.3 111.349 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -78.09 -9.46 59.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 2.7999999999999998 110.799 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 52.0 mt-30 63.63 43.5 5.69 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.006 -0.997 . . . . 2.7200000000000002 111.799 173.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.56 1.8 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 2.1299999999999999 110.435 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 29.9 mt-10 58.76 40.48 23.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.331 -0.849 . . . . 2.02 110.583 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -135.47 117.22 15.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.416 -0.811 . . . . 2.1600000000000001 109.675 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 4.4 p -93.1 107.21 18.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.694 0.759 . . . . 1.8100000000000001 110.404 176.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -73.63 170.74 14.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 2.02 109.973 177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -59.83 -33.43 71.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.236 0.541 . . . . 2.1699999999999999 109.839 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 27.0 tt0 -65.97 -40.22 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.653 -0.703 . . . . 1.6599999999999999 111.0 174.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 34.0 mt-10 -78.0 -29.18 49.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.368 0.604 . . . . 1.99 110.072 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 78' ' ' VAL . 80.5 t80 -71.57 -21.05 61.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.805 -0.634 . . . . 1.9199999999999999 109.349 170.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.666 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.9 OUTLIER -69.66 -42.82 80.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.568 -0.742 . . . . 0.67000000000000004 109.559 176.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.606 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.3 p -66.3 -30.48 70.91 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.007 -0.542 . . . . 0.73999999999999999 109.986 172.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.2 tm? -58.39 -45.95 87.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.839 -0.43 . . . . 1.1499999999999999 109.839 175.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 74' ' ' PHE . 21.2 t -67.49 -26.66 36.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 116.382 -0.372 . . . . 0.33000000000000002 110.043 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -64.55 -48.29 75.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 0.42999999999999999 109.894 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.606 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.55 -40.57 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.425 -0.807 . . . . 0.40000000000000002 110.126 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.655 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.26 -38.4 60.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.548 -0.751 . . . . 0.28000000000000003 112.268 -174.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 90.4 mt -64.45 -35.96 82.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.147 -0.686 . . . . 0.33000000000000002 109.147 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -66.21 -39.7 89.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.015 -0.993 . . . . 1.6699999999999999 110.111 174.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.49 66.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.039 -0.528 . . . . 0.47999999999999998 111.318 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.52 -54.16 5.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.454 -0.339 . . . . 0.56999999999999995 111.531 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -85.28 -49.4 8.21 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.217 0.532 . . . . 2.6800000000000002 111.156 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.53 ' C ' ' H ' ' A' ' 89' ' ' THR . 25.4 t80 -85.2 23.6 1.25 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.37 -0.832 . . . . 1.8 109.993 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -46.46 20.42 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.223 1.935 . . . . 3.2599999999999998 116.223 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 87' ' ' TYR . 10.3 t -83.92 24.07 0.95 Allowed 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.437 0.695 . . . . 1.26 110.551 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 89' ' ' THR . 58.5 m-70 . . . . . 0 CA--C 1.504 -0.817 0 C-N-CA 125.134 1.374 . . . . 3.4700000000000002 109.19 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.224 -0.261 0 N-CA-C 110.305 -0.257 . . . . 3.1000000000000001 110.305 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.563 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 2.6 tm-20 -55.73 -35.64 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 2.5099999999999998 111.437 -172.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.447 ' O ' HG13 ' B' ' 11' ' ' ILE . 15.6 m170 -70.42 -58.01 4.18 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.993 -0.442 . . . . 2.1600000000000001 111.154 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.655 HD13 ' HB1' ' A' ' 81' ' ' ALA . 82.8 mt -70.68 -60.96 1.95 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.221 0.534 . . . . 0.34000000000000002 111.31 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -69.72 -23.35 63.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.524 -0.762 . . . . 2.4100000000000001 109.701 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.617 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.1 -43.47 95.6 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.436 -0.888 . . . . 0.44 111.837 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.8 mt -65.46 -41.33 90.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.097 0.475 . . . . 1.1599999999999999 109.977 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.14 -42.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.552 -0.749 . . . . 0.56999999999999995 110.439 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.72 -37.07 85.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.553 -0.749 . . . . 1.4199999999999999 110.992 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -61.51 -47.81 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.373 -0.376 . . . . 2.0600000000000001 110.479 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.485 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.2 t80 -68.31 -36.11 78.82 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.142 0.496 . . . . 2.5800000000000001 109.678 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.39 -24.19 67.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.525 -0.761 . . . . 2.23 111.093 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 2.77 111.013 -179.414 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 45.4 mt . . . . . 0 C--O 1.223 -0.316 0 CA-C-O 120.91 0.386 . . . . 2.9100000000000001 110.726 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.474 -0.49 . . . . 1.3500000000000001 111.894 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.541 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.3 ttmp? -60.85 -34.17 74.18 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.658 0.244 . . . . 1.3200000000000001 111.658 -174.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.98 -44.37 94.57 Favored Glycine 0 C--N 1.328 0.107 0 C-N-CA 120.819 -0.705 . . . . 0.40000000000000002 113.008 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.6 -41.25 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.139 0.495 . . . . 2.4300000000000002 110.359 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 26.9 tp -62.64 -43.35 99.03 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 0.52000000000000002 110.05 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.8 tttt -57.08 -49.2 76.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.797 -0.638 . . . . 1.8700000000000001 110.976 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -55.63 -54.27 46.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.022 -0.535 . . . . 2.4500000000000002 109.742 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.54 -57.18 10.77 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 116.001 -0.545 . . . . 0.45000000000000001 110.389 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.7 mt -59.16 -46.79 87.45 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 112.7 0.63 . . . . 0.45000000000000001 112.7 -173.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.485 HG22 ' HA ' ' B' ' 49' ' ' LYS . 26.2 p -64.75 -35.6 81.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.781 0.289 . . . . 1.23 111.781 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -96.57 -30.51 13.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 1.6200000000000001 112.492 -176.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -90.8 -44.41 9.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 1.6699999999999999 110.998 -173.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.563 HD22 HD11 ' A' ' 8' ' ' LEU . 19.3 mt -114.65 25.24 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 1.4199999999999999 110.359 -171.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.542 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.8 -41.15 31.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.029 -0.987 . . . . 0.78000000000000003 112.952 -177.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -102.18 11.46 38.23 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.978 0.362 . . . . 2.1600000000000001 111.978 -172.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.6 m -108.64 -63.35 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.423 0.63 . . . . 0.66000000000000003 110.479 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -80.26 131.22 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.28 -0.873 . . . . 0.59999999999999998 109.517 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.465 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -55.39 125.57 21.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 123.313 0.383 . . . . 1.6100000000000001 110.403 -176.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 17.2 m120 46.34 42.53 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.48 111.723 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -64.24 -3.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.91 0.862 . . . . 0.56000000000000005 110.592 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.3 mmmm -84.28 -14.27 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.224 -0.898 . . . . 1.1100000000000001 109.781 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.11 128.42 35.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.222 -0.899 . . . . 1.5900000000000001 110.722 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.18 -26.92 68.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.606 -0.725 . . . . 0.92000000000000004 110.045 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.76 -37.89 85.51 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.984 -0.747 . . . . 0.67000000000000004 108.984 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 57' ' ' ILE . 30.4 t -71.39 -48.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.54 -1.209 . . . . 0.59999999999999998 109.337 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.446 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.2 mt -58.96 -37.53 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.41 -0.814 . . . . 0.41999999999999998 111.866 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.9 OUTLIER -65.43 -44.99 85.64 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.8 -0.815 . . . . 1.53 108.8 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 33.2 mm-40 -53.73 -49.86 67.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.892 -1.049 . . . . 1.77 111.355 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.36 -52.35 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.742 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.541 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 94.1 t80 -57.16 -45.23 83.82 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.298 -0.864 . . . . 1.6699999999999999 110.311 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.13 -24.6 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.717 -0.674 . . . . 1.9099999999999999 110.943 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.4 -26.02 72.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.723 -0.751 . . . . 0.53000000000000003 111.871 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.556 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.4 OUTLIER -95.73 -44.06 7.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.083 -0.34 . . . . 0.58999999999999997 110.083 179.386 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.466 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 35.8 t70 -72.96 72.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.366 -0.834 . . . . 1.3999999999999999 110.084 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.97 62.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.848 . . . . 1.3100000000000001 111.35 -176.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.78 -9.35 58.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.059 -0.519 . . . . 2.7999999999999998 110.843 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.466 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 52.0 mt-30 63.38 43.89 5.81 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.116 -0.947 . . . . 2.7200000000000002 111.812 173.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -107.7 1.48 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 2.1400000000000001 110.492 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.414 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 29.5 mt-10 59.06 40.25 22.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.356 -0.838 . . . . 2.0099999999999998 110.502 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -135.28 117.22 15.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.384 -0.825 . . . . 2.1600000000000001 109.732 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 4.4 p -93.09 107.21 18.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.67 0.748 . . . . 1.8100000000000001 110.435 176.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.46 170.87 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 2.02 109.833 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -60.09 -33.47 72.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.1 0.476 . . . . 2.1800000000000002 109.763 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.565 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 26.6 tt0 -65.81 -40.36 91.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.76 -0.654 . . . . 1.6699999999999999 110.942 174.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 33.9 mt-10 -77.89 -29.24 50.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.343 0.592 . . . . 1.99 110.013 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.529 ' O ' HG23 ' B' ' 78' ' ' VAL . 80.8 t80 -71.42 -21.22 62.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.427 0.632 . . . . 1.9199999999999999 109.302 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.646 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.9 OUTLIER -69.58 -42.95 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.529 -0.759 . . . . 0.67000000000000004 109.527 176.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.614 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.6 p -66.06 -30.38 70.9 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.966 -0.561 . . . . 0.73999999999999999 110.035 172.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.556 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.2 tm? -58.69 -45.81 88.65 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.777 -0.453 . . . . 1.1399999999999999 109.777 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 74' ' ' PHE . 21.3 t -67.52 -26.74 36.34 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.999 -0.371 . . . . 0.33000000000000002 109.999 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -64.52 -48.2 76.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.154 0.502 . . . . 0.42999999999999999 109.985 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.614 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.47 -40.61 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.366 -0.834 . . . . 0.40000000000000002 110.136 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.657 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -75.22 -38.48 60.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.555 -0.748 . . . . 0.28000000000000003 112.28 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 90.8 mt -64.32 -35.93 82.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.618 0.723 . . . . 0.33000000000000002 109.116 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.666 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -66.27 -39.77 89.65 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.023 -0.99 . . . . 1.6699999999999999 110.076 174.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.56 66.84 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.142 -0.481 . . . . 0.47999999999999998 111.242 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.62 -53.96 6.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 0.56999999999999995 111.589 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -85.3 -49.79 7.88 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.454 0.645 . . . . 2.6800000000000002 111.12 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.523 ' C ' ' H ' ' B' ' 89' ' ' THR . 25.1 t80 -84.8 23.37 1.19 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.359 -0.837 . . . . 1.8 109.969 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -46.32 20.73 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 116.237 1.94 . . . . 3.27 116.237 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.523 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.2 t -84.32 24.04 1.02 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.348 0.659 . . . . 1.27 110.527 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' B' ' 89' ' ' THR . 58.9 m-70 . . . . . 0 CA--C 1.503 -0.845 0 C-N-CA 124.988 1.315 . . . . 3.4700000000000002 109.38 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.457 ' HG2' ' OG1' ' B' ' 44' ' ' THR . 20.7 mt-10 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 111.393 0.146 . . . . 3.1000000000000001 111.393 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.99 -47.73 44.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.002 0.43 . . . . 2.5099999999999998 110.638 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -48.25 10.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.487 -0.324 . . . . 2.1600000000000001 111.636 -175.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.781 HD13 ' HB1' ' B' ' 81' ' ' ALA . 68.8 mt -63.32 -61.01 2.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.247 0.546 . . . . 0.34000000000000002 111.259 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.9 -27.54 68.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.51 -0.768 . . . . 2.4100000000000001 109.572 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -45.42 93.4 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.704 -0.76 . . . . 0.44 112.348 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.68 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.983 0.42 . . . . 1.1599999999999999 110.095 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.94 -43.74 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.609 -0.723 . . . . 0.56999999999999995 111.005 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.31 -36.53 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.883 -0.599 . . . . 1.4199999999999999 111.035 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.64 -40.72 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 2.0600000000000001 110.667 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 17.8 m-85 -63.48 -43.27 97.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.236 0.541 . . . . 2.5699999999999998 109.927 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.16 -21.65 66.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.36 -0.836 . . . . 2.23 110.896 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 2.77 111.571 -177.466 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.431 0.634 . . . . 2.9100000000000001 109.587 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 p -103.03 -171.06 1.88 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.547 -0.751 . . . . 1.3500000000000001 111.029 -176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.625 ' HB2' ' OE2' ' A' ' 67' ' ' GLU . 13.5 ttmm -53.91 -29.67 42.96 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 111.817 0.303 . . . . 1.3200000000000001 111.817 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.09 89.38 Favored Glycine 0 C--O 1.235 0.168 0 C-N-CA 121.203 -0.522 . . . . 0.40000000000000002 113.222 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.93 -44.07 73.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.255 0.55 . . . . 2.4399999999999999 110.189 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.4 tp -63.55 -50.46 69.42 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.168 -0.924 . . . . 0.52000000000000002 109.663 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HB2' HG21 ' A' ' 54' ' ' ILE . 41.5 tttp -53.35 -47.65 69.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.319 -0.855 . . . . 1.8700000000000001 111.618 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 9.9 tt0 -54.73 -59.62 4.46 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.4 -0.364 . . . . 2.46 110.247 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.571 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 10.4 tt -52.17 -51.8 55.88 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.92 -0.582 . . . . 0.45000000000000001 110.683 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 71.6 mt -58.42 -52.49 65.41 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.04 0.756 . . . . 0.45000000000000001 113.04 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 49' ' ' LYS . 19.7 p -63.07 -38.73 92.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.418 -0.356 . . . . 1.23 111.816 -172.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.3 ptmt -96.71 -31.29 12.75 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.296 0.85 . . . . 1.6100000000000001 113.296 -174.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.571 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 11.5 tp10 -98.0 -39.79 8.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.638 0.256 . . . . 1.6699999999999999 111.425 -168.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.508 HD22 HD11 ' B' ' 8' ' ' LEU . 38.0 mt -111.76 27.99 9.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.281 0.563 . . . . 1.4199999999999999 109.639 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -55.28 -26.33 39.59 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 114.805 -1.089 . . . . 0.78000000000000003 113.341 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -111.67 17.71 19.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.536 0.569 . . . . 2.1600000000000001 112.536 -172.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.473 ' OG1' ' HG2' ' B' ' 5' ' ' GLU . 28.4 m -119.13 -67.49 0.98 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.447 0.641 . . . . 0.66000000000000003 110.841 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 27.2 mt -73.64 135.08 28.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.987 -1.006 . . . . 0.59999999999999998 110.442 -174.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 2.3 pptp? -56.13 126.61 26.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 123.248 0.342 . . . . 1.6100000000000001 110.798 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.45 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 9.5 m120 46.22 40.42 7.45 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 123.847 0.717 . . . . 1.48 111.552 175.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 37' ' ' LEU . 9.6 tp -61.26 -8.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.038 0.923 . . . . 0.55000000000000004 110.906 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.3 OUTLIER -82.42 -17.41 45.49 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.804 -1.089 . . . . 1.1100000000000001 110.183 179.253 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.15 128.65 34.74 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.567 -0.742 . . . . 1.5800000000000001 111.0 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.4 tmtp? -62.28 -30.74 71.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.818 -1.083 . . . . 0.92000000000000004 109.855 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.32 -40.25 89.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.19 -0.67 . . . . 0.67000000000000004 109.19 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 57' ' ' ILE . 30.7 t -66.75 -47.06 84.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.633 -1.167 . . . . 0.59999999999999998 109.332 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.418 HG21 ' HB2' ' A' ' 34' ' ' LYS . 68.2 mt -60.09 -41.98 88.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.783 -1.098 . . . . 0.41999999999999998 111.749 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 59' ' ' GLN . 6.7 t0 -64.37 -48.28 76.08 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.75 -0.833 . . . . 1.53 108.75 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 30.6 mm-40 -54.5 -41.2 69.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.818 -1.083 . . . . 1.77 111.375 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 53' ' ' VAL . 78.9 mt -70.03 -49.63 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.588 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 30' ' ' LYS . 39.7 t80 -56.5 -43.4 79.67 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.873 -0.603 . . . . 1.6799999999999999 109.881 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 80.3 mt-30 -63.58 -29.04 70.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.841 -0.618 . . . . 1.9199999999999999 110.57 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.15 -25.14 75.67 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.84 -0.695 . . . . 0.53000000000000003 111.571 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.31 7.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.983 -0.747 . . . . 0.57999999999999996 108.983 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.73 67.07 7.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.913 -1.039 . . . . 1.3999999999999999 109.649 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.61 -21.11 63.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.198 -0.91 . . . . 1.3 111.132 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -89.35 -3.2 58.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.667 -0.697 . . . . 2.7999999999999998 111.148 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 58.52 40.39 23.91 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.414 -0.812 . . . . 2.7200000000000002 112.007 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -98.46 -6.98 29.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.29 0.567 . . . . 2.1299999999999999 110.142 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.625 ' OE2' ' HB2' ' A' ' 30' ' ' LYS . 21.3 tp10 61.61 46.86 6.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.752 -1.113 . . . . 2.02 110.453 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.88 118.92 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 2.1600000000000001 110.044 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.0 p -101.05 114.88 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.404 0.621 . . . . 1.8100000000000001 111.828 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.73 170.98 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.547 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -59.64 -29.66 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.754 0.311 . . . . 2.1699999999999999 111.019 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.617 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.9 tt0 -68.1 -38.22 82.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.499 0.666 . . . . 1.6599999999999999 110.692 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 28.2 mt-10 -75.9 -32.17 59.52 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.099 -0.501 . . . . 1.99 110.155 177.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.539 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 21.8 m-85 -62.85 -27.7 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.288 0.566 . . . . 1.9199999999999999 109.709 168.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.617 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -64.92 -41.43 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.529 -0.759 . . . . 0.67000000000000004 109.503 176.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.575 ' O ' HD13 ' A' ' 80' ' ' ILE . 64.3 m -61.56 -35.62 78.3 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.314 -0.857 . . . . 0.73999999999999999 110.201 174.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.1 tm? -58.08 -45.36 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.093 -0.336 . . . . 1.1499999999999999 110.093 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.562 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.2 t -63.64 -33.28 60.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 109.593 -0.521 . . . . 0.33000000000000002 109.593 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.48 -50.44 73.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.957 -0.565 . . . . 0.42999999999999999 110.128 176.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.21 -44.11 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 0.40000000000000002 110.235 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.813 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -68.86 -43.93 74.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.93 . . . . 0.28000000000000003 112.344 -175.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -67.4 -33.0 74.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.164 0.507 . . . . 0.33000000000000002 110.188 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -64.28 -49.64 71.01 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.35 -0.611 . . . . 1.6699999999999999 109.35 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.39 -23.48 64.37 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.932 0.345 . . . . 0.47999999999999998 111.932 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.04 -60.56 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.844 0.313 . . . . 0.56999999999999995 111.844 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -80.2 -38.73 30.58 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.766 0.793 . . . . 2.6800000000000002 110.502 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.553 ' C ' ' H ' ' A' ' 89' ' ' THR . 36.8 t80 -89.96 23.4 2.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.711 -1.131 . . . . 1.8 109.408 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -46.98 19.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 115.856 1.799 . . . . 3.2599999999999998 115.856 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.553 ' H ' ' C ' ' A' ' 87' ' ' TYR . 12.1 t -86.42 15.2 5.64 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.858 -0.793 . . . . 1.26 108.858 174.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 89' ' ' THR . 14.4 m-70 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-N 114.223 -1.353 . . . . 3.4700000000000002 109.705 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.473 ' HG2' ' OG1' ' A' ' 44' ' ' THR . 20.3 mt-10 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 111.355 0.132 . . . . 3.1000000000000001 111.355 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -49.09 -47.88 44.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 2.5099999999999998 110.608 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.64 -48.09 11.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.465 -0.334 . . . . 2.1600000000000001 111.798 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.813 HD13 ' HB1' ' A' ' 81' ' ' ALA . 68.6 mt -63.34 -60.99 2.65 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.306 0.574 . . . . 0.34000000000000002 111.325 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.78 -27.97 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.527 -0.761 . . . . 2.4100000000000001 109.536 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.1 -45.39 93.94 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.772 -0.728 . . . . 0.44 112.274 174.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.89 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.006 0.432 . . . . 1.1599999999999999 110.053 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.88 -43.78 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.702 -0.681 . . . . 0.56999999999999995 110.948 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.27 -36.87 84.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 1.4199999999999999 110.917 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.37 -40.74 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 2.0600000000000001 110.698 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' B' ' 74' ' ' PHE . 17.9 m-85 -63.51 -43.22 97.84 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.221 0.534 . . . . 2.5800000000000001 109.877 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -65.28 -21.68 66.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.4 -0.818 . . . . 2.23 110.806 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 2.77 111.527 -177.389 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.411 0.624 . . . . 2.9100000000000001 109.556 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -103.15 -171.1 1.89 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.496 -0.775 . . . . 1.3500000000000001 111.063 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.627 ' HB2' ' OE2' ' B' ' 67' ' ' GLU . 13.4 ttmm -53.66 -29.99 41.15 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.882 0.327 . . . . 1.3200000000000001 111.882 -177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -40.93 88.73 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.2 -0.524 . . . . 0.40000000000000002 113.197 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.74 -44.25 74.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.18 0.515 . . . . 2.4300000000000002 110.173 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 32.4 tp -63.49 -50.5 69.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.172 -0.922 . . . . 0.52000000000000002 109.735 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.407 ' HB2' HG21 ' B' ' 54' ' ' ILE . 41.5 tttp -53.29 -47.9 68.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.306 -0.861 . . . . 1.8700000000000001 111.592 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 9.9 tt0 -54.61 -59.33 4.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.364 -0.38 . . . . 2.4500000000000002 110.272 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.578 ' O ' ' HB3' ' B' ' 40' ' ' GLU . 10.4 tt -52.38 -51.7 57.56 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.972 -0.558 . . . . 0.45000000000000001 110.624 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 72.1 mt -58.57 -52.56 65.14 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.883 0.697 . . . . 0.45000000000000001 112.883 -174.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.7 p -62.89 -38.75 92.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.401 -0.363 . . . . 1.23 111.97 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.2 ptmt -96.55 -31.74 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.162 0.801 . . . . 1.6200000000000001 113.162 -174.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' B' ' 36' ' ' LEU . 11.2 tp10 -97.57 -39.86 8.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.628 0.251 . . . . 1.6699999999999999 111.461 -168.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 8' ' ' LEU . 38.6 mt -111.66 28.11 9.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.297 0.57 . . . . 1.4199999999999999 109.542 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' B' ' 48' ' ' ILE . . . -54.87 -27.02 39.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.766 -1.106 . . . . 0.78000000000000003 113.069 -176.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -111.33 17.48 20.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.611 0.597 . . . . 2.1600000000000001 112.611 -171.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.457 ' OG1' ' HG2' ' A' ' 5' ' ' GLU . 28.5 m -118.97 -67.42 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.493 0.664 . . . . 0.66000000000000003 110.954 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 27.1 mt -73.62 135.15 28.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.011 -0.995 . . . . 0.59999999999999998 110.489 -175.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.457 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 2.3 pptp? -56.07 126.87 27.85 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.283 0.365 . . . . 1.6100000000000001 110.78 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.457 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.5 m120 45.94 40.38 6.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 123.81 0.694 . . . . 1.48 111.672 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.6 tp -61.3 -8.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.932 0.872 . . . . 0.56000000000000005 110.9 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -17.17 46.82 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.815 -1.084 . . . . 1.1100000000000001 110.147 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.51 129.07 34.9 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.722 -0.672 . . . . 1.5900000000000001 110.95 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.571 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.4 tmtp? -62.74 -30.68 71.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 0.92000000000000004 109.716 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.43 -40.18 89.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.578 0.704 . . . . 0.67000000000000004 109.313 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.492 ' O ' HG13 ' B' ' 57' ' ' ILE . 31.1 t -66.73 -47.25 83.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.551 -1.204 . . . . 0.59999999999999998 109.249 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' B' ' 34' ' ' LYS . 69.0 mt -59.92 -42.08 88.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.725 -1.125 . . . . 0.41999999999999998 111.758 178.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' B' ' 59' ' ' GLN . 7.4 t0 -64.31 -48.33 76.04 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.781 -0.822 . . . . 1.53 108.781 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 34.8 mm-40 -54.55 -40.97 69.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.832 -1.076 . . . . 1.77 111.358 177.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 53' ' ' VAL . 78.3 mt -70.14 -49.59 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.591 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' B' ' 30' ' ' LYS . 39.8 t80 -56.68 -43.23 80.24 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.886 -0.597 . . . . 1.6699999999999999 109.854 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 80.2 mt-30 -63.79 -28.9 70.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.764 -0.653 . . . . 1.9099999999999999 110.584 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.34 -25.07 75.8 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.882 -0.675 . . . . 0.53000000000000003 111.624 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.23 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.019 -0.734 . . . . 0.58999999999999997 109.019 177.688 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.7 67.07 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.885 -1.052 . . . . 1.3999999999999999 109.595 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.6 63.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.14 -0.936 . . . . 1.3100000000000001 111.072 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -88.73 -3.68 58.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 2.7999999999999998 111.242 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 58.77 40.63 22.84 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.523 -0.762 . . . . 2.7200000000000002 111.983 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -98.76 -6.67 28.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 2.1400000000000001 110.288 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.627 ' OE2' ' HB2' ' B' ' 30' ' ' LYS . 21.4 tp10 61.53 46.74 7.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.807 -1.088 . . . . 2.0099999999999998 110.399 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -148.03 118.7 7.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.431 -0.804 . . . . 2.1600000000000001 110.147 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 114.81 41.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.486 0.66 . . . . 1.8100000000000001 111.815 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.77 170.92 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 2.02 109.498 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.405 ' HA ' ' HB2' ' B' ' 74' ' ' PHE . 96.7 m-85 -59.6 -29.88 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.844 0.293 . . . . 2.1800000000000002 110.926 176.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.605 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.9 tt0 -67.8 -38.24 83.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.413 0.625 . . . . 1.6699999999999999 110.833 174.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 28.3 mt-10 -75.86 -32.06 59.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.068 -0.515 . . . . 1.99 110.12 177.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.547 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 21.7 m-85 -63.0 -27.85 69.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.589 -0.523 . . . . 1.9199999999999999 109.589 168.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.605 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -64.69 -41.46 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.585 -0.734 . . . . 0.67000000000000004 109.46 176.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.578 ' O ' HD13 ' B' ' 80' ' ' ILE . 58.7 m -61.58 -35.57 78.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.356 -0.838 . . . . 0.73999999999999999 110.235 174.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.574 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.1 tm? -58.19 -45.31 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.073 -0.343 . . . . 1.1399999999999999 110.073 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.561 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.1 t -63.6 -33.49 61.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.522 -0.547 . . . . 0.33000000000000002 109.522 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.21 -50.45 73.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 0.42999999999999999 110.128 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.578 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.34 -44.15 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.795 . . . . 0.40000000000000002 110.298 175.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.781 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -68.82 -43.89 74.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.146 -0.934 . . . . 0.28000000000000003 112.358 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 94.9 mt -67.38 -32.99 74.27 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.198 0.523 . . . . 0.33000000000000002 110.212 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.4 OUTLIER -64.33 -49.63 70.96 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.354 -0.61 . . . . 1.6699999999999999 109.354 171.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.59 64.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.963 0.357 . . . . 0.47999999999999998 111.963 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.98 -60.29 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.916 0.339 . . . . 0.56999999999999995 111.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -80.41 -38.66 29.8 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.624 0.726 . . . . 2.6800000000000002 110.568 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.558 ' C ' ' H ' ' B' ' 89' ' ' THR . 37.3 t80 -90.08 23.43 2.83 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.719 -1.128 . . . . 1.8 109.441 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.2 20.1 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 115.792 1.775 . . . . 3.27 115.792 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.558 ' H ' ' C ' ' B' ' 87' ' ' TYR . 12.1 t -86.77 15.49 5.71 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.934 -0.765 . . . . 1.27 108.934 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' B' ' 89' ' ' THR . 14.4 m-70 . . . . . 0 CA--C 1.512 -0.498 0 CA-C-N 114.256 -1.338 . . . . 3.4700000000000002 109.572 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.575 0.226 . . . . 3.1000000000000001 110.725 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.05 -28.64 64.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.431 0.634 . . . . 2.5099999999999998 110.148 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.527 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 93.2 m-70 -74.04 -46.46 43.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 2.1600000000000001 109.675 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.565 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 88.7 mt -60.14 -59.07 6.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.262 0.553 . . . . 0.34000000000000002 110.915 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.68 -26.19 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.493 -0.776 . . . . 2.4100000000000001 110.83 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -69.57 -33.41 71.95 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.089 -0.577 . . . . 0.44 111.773 176.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG21 HG21 ' A' ' 78' ' ' VAL . 30.8 mm -70.44 -37.8 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.549 0.69 . . . . 1.1599999999999999 109.219 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 83.6 t -64.92 -27.13 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.55 -0.75 . . . . 0.56999999999999995 110.472 175.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.33 -44.05 72.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.8 -0.636 . . . . 1.4199999999999999 110.263 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 30.4 pt -72.19 -23.44 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.693 -0.403 . . . . 2.0600000000000001 110.574 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 13.6 m-30 -61.24 -46.49 90.18 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.142 -0.688 . . . . 2.5699999999999998 109.142 169.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -67.09 -20.97 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.928 -1.033 . . . . 2.23 110.393 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 30.3 tt0 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.05 -0.523 . . . . 2.77 112.003 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 68.9 mt . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 121.15 0.5 . . . . 2.9100000000000001 110.739 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -99.58 -171.5 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.198 -0.455 . . . . 1.3500000000000001 109.874 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 18.7 ttmt -61.99 -25.82 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.616 0.228 . . . . 1.3200000000000001 111.616 -173.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.48 99.69 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.736 -0.745 . . . . 0.40000000000000002 112.532 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.05 -43.36 87.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.473 0.654 . . . . 2.4399999999999999 109.823 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 16.9 tp -60.87 -49.94 75.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.89 -1.05 . . . . 0.52000000000000002 109.992 176.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HA ' HD13 ' A' ' 54' ' ' ILE . 1.6 tmtp? -56.23 -49.56 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.964 -1.016 . . . . 1.8700000000000001 110.77 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 56.1 tt0 -52.13 -61.9 1.98 Allowed 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 123.343 0.402 . . . . 2.46 110.017 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -53.32 -53.65 47.87 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.567 0.542 . . . . 0.45000000000000001 111.265 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 48' ' ' ILE . 63.2 mt -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.849 0.685 . . . . 0.45000000000000001 112.849 -173.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 30.7 p -64.78 -34.9 79.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.851 0.315 . . . . 1.23 111.851 -174.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.5 ptmm? -97.34 -34.35 11.09 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.865 0.691 . . . . 1.6100000000000001 112.865 -175.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE1' ' HG3' ' A' ' 39' ' ' LYS . 7.0 mm-40 -96.17 -36.35 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 1.6699999999999999 111.03 -170.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 40' ' ' GLU . 8.3 mp -115.09 27.43 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.285 0.564 . . . . 1.4199999999999999 109.706 -176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -53.01 -34.01 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.725 -1.125 . . . . 0.78000000000000003 113.795 -173.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -109.72 9.74 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.179 0.514 . . . . 2.1600000000000001 111.03 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.6 -63.52 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.433 0.635 . . . . 0.66000000000000003 110.469 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.568 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 54.2 mt -80.66 136.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.246 -0.888 . . . . 0.59999999999999998 110.16 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.65 124.12 17.26 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.643 -0.253 . . . . 1.6100000000000001 111.223 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 49' ' ' LYS . 2.6 t-20 42.87 46.87 4.71 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.83 0.824 . . . . 1.48 110.709 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.671 HD11 HD13 ' A' ' 37' ' ' LEU . 5.5 tp -66.04 3.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.976 -1.011 . . . . 0.55000000000000004 110.148 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 47' ' ' ASN . 13.8 mmmm -97.64 -1.34 43.89 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.742 -0.663 . . . . 1.1100000000000001 109.64 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 3.0 t70 -101.2 133.6 45.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.329 -0.85 . . . . 1.5800000000000001 110.484 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.43 -20.39 65.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.618 -0.719 . . . . 0.92000000000000004 110.322 178.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -71.17 -36.3 71.95 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.736 -0.838 . . . . 0.67000000000000004 108.736 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.8 t -75.78 -45.39 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.816 -1.083 . . . . 0.59999999999999998 109.275 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 34' ' ' LYS . 59.4 mt -59.53 -38.26 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.786 -1.097 . . . . 0.41999999999999998 111.011 176.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.26 -49.59 71.28 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.67 -0.695 . . . . 1.53 110.05 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 19.8 mm-40 -49.36 -45.94 46.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.063 -0.971 . . . . 1.77 111.149 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.636 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.7 mt -72.5 -54.42 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.462 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 85.2 t80 -50.96 -50.74 57.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.856 -0.611 . . . . 1.6799999999999999 111.062 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -69.82 -20.68 63.43 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.274 -0.875 . . . . 1.9199999999999999 110.688 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.37 -23.91 69.58 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.061 -0.59 . . . . 0.53000000000000003 112.137 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -92.96 -43.1 9.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.374 -0.973 . . . . 0.57999999999999996 108.374 177.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.36 73.3 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 1.3999999999999999 109.987 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.66 -16.75 63.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 1.3 110.63 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -20.29 56.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 2.7999999999999998 109.711 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 59.96 40.78 18.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.051 -0.977 . . . . 2.7200000000000002 110.849 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.8 1.21 28.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 2.1299999999999999 110.054 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 66.67 36.59 4.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.064 -0.971 . . . . 2.02 109.679 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -143.08 117.59 9.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.714 -1.13 . . . . 2.1600000000000001 110.233 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 18.3 m -110.84 125.39 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.123 0.487 . . . . 1.8100000000000001 110.452 173.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.43 170.37 16.25 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.178 -0.675 . . . . 2.02 109.178 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.81 -29.51 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.955 0.407 . . . . 2.1699999999999999 110.4 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 28.3 tt0 -69.32 -41.5 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 1.6599999999999999 111.484 175.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.06 -33.32 67.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.111 0.481 . . . . 1.99 109.888 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.649 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 1.2 t80 -68.11 -21.29 64.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.719 0.771 . . . . 1.9199999999999999 109.083 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.643 HD13 ' HG2' ' B' ' 83' ' ' LYS . 0.4 OUTLIER -71.53 -35.22 55.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.194 -0.912 . . . . 0.67000000000000004 109.477 174.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.644 ' O ' HD13 ' A' ' 80' ' ' ILE . 28.4 m -64.44 -35.71 81.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.49 -0.777 . . . . 0.73999999999999999 109.33 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.649 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.1 tm? -54.54 -47.0 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.988 0.423 . . . . 1.1499999999999999 110.1 175.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.5 t -63.94 -33.25 60.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 CA-C-N 115.958 -0.565 . . . . 0.33000000000000002 109.872 -177.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.8 -45.2 94.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.334 0.587 . . . . 0.42999999999999999 110.319 175.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.644 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -61.02 -41.3 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.25 -0.886 . . . . 0.40000000000000002 110.273 175.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -69.83 -34.49 73.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 0.28000000000000003 111.431 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -68.92 -40.22 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.501 . . . . 0.33000000000000002 110.115 176.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' B' ' 75' ' ' ILE . 7.8 mmmm -59.25 -49.17 78.87 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 109.06 -0.718 . . . . 1.6699999999999999 109.06 171.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -62.13 -21.61 65.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.276 -0.42 . . . . 0.47999999999999998 111.975 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -79.94 -53.53 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.005 0.372 . . . . 0.56999999999999995 112.005 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.95 -39.17 18.45 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.78 0.8 . . . . 2.6800000000000002 110.497 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.534 ' C ' ' H ' ' A' ' 89' ' ' THR . 33.6 t80 -89.66 23.44 2.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.48 -1.236 . . . . 1.8 109.02 177.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 18.4 t-80 -48.53 19.89 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.068 1.747 . . . . 3.2599999999999998 115.083 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.534 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.7 t -75.28 -31.29 60.68 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.599 -0.889 . . . . 1.26 108.599 172.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 m80 . . . . . 0 N--CA 1.465 0.295 0 C-N-CA 123.986 0.915 . . . . 3.4700000000000002 110.14 178.807 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.588 0.232 . . . . 3.1000000000000001 110.774 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -57.95 -28.52 64.4 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.44 0.638 . . . . 2.5099999999999998 110.255 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.53 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 93.3 m-70 -74.1 -46.6 41.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 2.1600000000000001 109.611 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.536 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 88.5 mt -60.08 -59.06 6.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.262 0.553 . . . . 0.34000000000000002 110.893 174.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.86 -26.06 67.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.625 -0.716 . . . . 2.4100000000000001 110.774 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.527 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -69.51 -33.39 72.18 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.96 -0.638 . . . . 0.44 111.832 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.55 HG21 HG21 ' B' ' 78' ' ' VAL . 30.7 mm -70.38 -37.86 72.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.648 0.737 . . . . 1.1599999999999999 109.196 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' B' ' 15' ' ' PHE . 82.3 t -64.95 -27.16 41.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.535 -0.757 . . . . 0.56999999999999995 110.424 175.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.2 -44.28 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 1.4199999999999999 110.354 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 30.2 pt -72.12 -23.46 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.686 -0.405 . . . . 2.0600000000000001 110.663 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 13.5 m-30 -61.07 -46.15 91.85 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.27 -0.641 . . . . 2.5800000000000001 109.27 169.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -67.59 -20.66 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.957 -1.019 . . . . 2.23 110.441 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 30.3 tt0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 2.77 111.879 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 68.4 mt . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.183 0.516 . . . . 2.9100000000000001 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.2 t -99.53 -171.19 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.756 -0.461 . . . . 1.3500000000000001 109.756 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.498 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 18.8 ttmt -62.35 -25.74 68.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.622 0.231 . . . . 1.3200000000000001 111.622 -173.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.7 -42.82 99.64 Favored Glycine 0 N--CA 1.455 -0.048 0 C-N-CA 120.934 -0.65 . . . . 0.40000000000000002 112.597 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.47 -43.71 89.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.413 0.625 . . . . 2.4300000000000002 109.856 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 17.0 tp -60.74 -49.88 75.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.958 -1.019 . . . . 0.52000000000000002 109.919 176.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.517 ' HA ' HD13 ' B' ' 54' ' ' ILE . 1.6 tmtp? -56.41 -49.34 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.056 -0.974 . . . . 1.8700000000000001 110.72 -178.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 56.5 tt0 -52.34 -61.81 2.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.355 0.409 . . . . 2.4500000000000002 110.032 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -53.39 -53.57 49.24 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.9 -0.591 . . . . 0.45000000000000001 111.221 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.688 HD13 HD11 ' B' ' 48' ' ' ILE . 63.6 mt -62.04 -47.96 82.39 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.81 0.67 . . . . 0.45000000000000001 112.81 -173.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 31.1 p -64.66 -34.9 79.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.854 0.316 . . . . 1.23 111.854 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.6 ptmm? -97.31 -34.19 11.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.908 0.707 . . . . 1.6200000000000001 112.908 -175.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' HG3' ' B' ' 39' ' ' LYS . 6.7 mm-40 -96.2 -36.32 10.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.87 0.367 . . . . 1.6699999999999999 111.108 -170.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.403 HD12 ' C ' ' B' ' 40' ' ' GLU . 8.1 mp -115.18 27.54 9.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.372 0.606 . . . . 1.4199999999999999 109.771 -176.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.85 -34.67 55.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.732 -1.122 . . . . 0.78000000000000003 113.751 -173.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -109.45 9.92 25.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.282 0.563 . . . . 2.1600000000000001 111.02 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.62 -63.9 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.466 0.651 . . . . 0.66000000000000003 110.335 -174.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.562 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.4 mt -80.17 136.5 23.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.176 -0.92 . . . . 0.59999999999999998 110.046 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.89 124.4 18.45 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.545 -0.298 . . . . 1.6100000000000001 111.168 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' B' ' 49' ' ' LYS . 2.7 t-20 42.48 46.85 4.24 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.842 0.83 . . . . 1.48 110.798 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.688 HD11 HD13 ' B' ' 37' ' ' LEU . 5.5 tp -65.92 3.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.044 -0.98 . . . . 0.56000000000000005 110.181 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' B' ' 47' ' ' ASN . 13.8 mmmm -97.47 -1.78 43.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.871 -0.604 . . . . 1.1100000000000001 109.697 -177.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.432 ' HB2' ' OD1' ' B' ' 47' ' ' ASN . 2.8 t70 -100.69 133.34 45.28 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.209 -0.905 . . . . 1.5900000000000001 110.612 178.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.498 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.4 -20.44 65.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.92000000000000004 110.191 178.013 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.82 -36.68 73.06 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.826 -0.805 . . . . 0.67000000000000004 108.826 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 37.2 t -75.71 -45.31 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.632 -1.167 . . . . 0.59999999999999998 109.299 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' B' ' 34' ' ' LYS . 59.6 mt -59.53 -38.23 74.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.87 -1.059 . . . . 0.41999999999999998 110.95 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.36 -49.44 71.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 115.643 -0.708 . . . . 1.53 110.004 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 19.6 mm-40 -49.24 -46.09 45.56 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.048 -0.978 . . . . 1.77 111.375 177.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.9 mt -72.54 -54.41 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.927 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' B' ' 33' ' ' LEU . 85.4 t80 -50.93 -50.61 57.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 1.6699999999999999 111.181 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -69.91 -20.63 63.36 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.286 -0.87 . . . . 1.9099999999999999 110.565 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.14 -24.7 68.16 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.989 -0.624 . . . . 0.53000000000000003 112.149 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.5 OUTLIER -92.45 -43.25 9.3 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.366 -0.976 . . . . 0.58999999999999997 108.366 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -80.32 73.48 7.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.755 -1.111 . . . . 1.3999999999999999 110.005 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -16.5 63.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.368 -0.833 . . . . 1.3100000000000001 110.654 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -20.23 56.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.439 0.637 . . . . 2.7999999999999998 109.652 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 59.84 41.28 18.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 114.822 -1.081 . . . . 2.7200000000000002 110.699 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.94 1.05 28.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 2.1400000000000001 110.063 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 66.61 37.09 4.55 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.15 -0.932 . . . . 2.0099999999999998 109.75 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -143.5 117.75 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.731 -1.122 . . . . 2.1600000000000001 110.113 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.45 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 18.2 m -111.27 124.95 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.177 0.513 . . . . 1.8100000000000001 110.529 173.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.96 170.27 16.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 2.02 109.243 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.82 -29.6 62.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.939 0.4 . . . . 2.1800000000000002 110.346 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.551 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 28.2 tt0 -69.28 -41.52 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 1.6699999999999999 111.504 175.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.07 -33.17 67.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.124 0.487 . . . . 1.99 109.891 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.649 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 1.2 t80 -68.2 -21.47 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.718 0.77 . . . . 1.9199999999999999 109.027 173.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -71.46 -35.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.196 -0.911 . . . . 0.67000000000000004 109.541 174.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.645 ' O ' HD13 ' B' ' 80' ' ' ILE . 27.4 m -64.31 -35.74 81.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.73999999999999999 109.479 172.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.649 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.1 tm? -54.57 -47.08 73.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.303 -0.408 . . . . 1.1399999999999999 110.009 175.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.2 t -63.74 -33.43 61.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 116.01 -0.541 . . . . 0.33000000000000002 109.958 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.74 -45.2 94.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.323 0.582 . . . . 0.42999999999999999 110.3 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.645 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.99 -41.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.253 -0.885 . . . . 0.40000000000000002 110.289 175.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -69.83 -34.42 73.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.57 -0.741 . . . . 0.28000000000000003 111.46 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.3 mt -68.94 -40.17 79.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.087 -0.506 . . . . 0.33000000000000002 110.079 176.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.643 ' HG2' HD13 ' A' ' 75' ' ' ILE . 7.6 mmmm -59.32 -49.09 79.15 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.967 -0.753 . . . . 1.6699999999999999 108.967 171.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -62.22 -21.63 65.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.178 -0.465 . . . . 0.47999999999999998 111.958 178.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.01 -53.6 6.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.942 0.349 . . . . 0.56999999999999995 111.942 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.74 -39.19 18.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.768 0.794 . . . . 2.6800000000000002 110.547 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.534 ' C ' ' H ' ' B' ' 89' ' ' THR . 34.5 t80 -89.65 23.18 2.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.539 -1.21 . . . . 1.8 108.967 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 18.1 t-80 -48.32 20.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.19 1.796 . . . . 3.27 115.164 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.534 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.1 t -75.49 -31.93 60.38 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.384 -0.969 . . . . 1.27 108.384 172.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 m80 . . . . . 0 N--CA 1.465 0.286 0 CA-C-N 115.13 -0.941 . . . . 3.4700000000000002 110.111 179.043 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.393 0.616 . . . . 3.1000000000000001 110.175 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.68 -18.86 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.339 -0.846 . . . . 2.5099999999999998 110.672 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.602 ' O ' HG13 ' A' ' 11' ' ' ILE . 24.0 m-70 -71.34 -49.49 41.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.496 -0.32 . . . . 2.1600000000000001 110.72 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.869 HD13 ' HB1' ' B' ' 81' ' ' ALA . 75.0 mt -63.31 -60.74 3.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.34000000000000002 111.334 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.94 -22.44 66.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.767 -0.651 . . . . 2.4100000000000001 109.926 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.669 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -72.85 -35.94 58.02 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.316 -0.856 . . . . 0.44 112.636 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 7' ' ' HIS . 56.8 mt -74.42 -39.48 48.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.229 -0.656 . . . . 1.1599999999999999 109.229 178.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' B' ' 85' ' ' ALA . 69.0 t -55.32 -39.43 52.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.153 -0.93 . . . . 0.56999999999999995 110.007 169.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.25 -32.71 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.06 -0.973 . . . . 1.4199999999999999 111.007 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.669 HG13 ' O ' ' A' ' 10' ' ' GLY . 73.5 mt -64.74 -42.55 95.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.925 0.393 . . . . 2.0600000000000001 110.594 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.88 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.726 -0.472 . . . . 2.5699999999999998 109.726 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -72.97 -24.71 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 2.23 110.96 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 2.77 111.56 -174.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 1.1 pt? . . . . . 0 C--O 1.233 0.2 0 CA-C-O 122.28 1.038 . . . . 2.9100000000000001 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -100.06 -170.51 1.89 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.775 -1.102 . . . . 1.3500000000000001 110.389 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 22.5 ttmt -60.31 -23.76 64.45 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 122.443 -0.161 . . . . 1.3200000000000001 111.429 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.43 -57.58 16.66 Favored Glycine 0 C--O 1.235 0.178 0 C-N-CA 121.412 -0.423 . . . . 0.40000000000000002 114.103 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.62 -38.15 77.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.589 0.218 . . . . 2.4399999999999999 111.589 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 23.1 tp -57.56 -51.48 69.29 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.193 -0.669 . . . . 0.52000000000000002 109.193 175.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 54' ' ' ILE . 26.5 ttpp -49.59 -51.35 37.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.59 -1.187 . . . . 1.8700000000000001 111.255 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.752 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 6.3 mm100 -61.42 -59.99 4.41 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 116.194 -0.457 . . . . 2.46 110.838 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -47.77 -42.9 26.85 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.414 0.626 . . . . 0.45000000000000001 110.724 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 82.3 mt -68.44 -49.62 58.62 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.086 -0.507 . . . . 0.45000000000000001 112.33 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -71.88 -27.51 62.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.66 0.244 . . . . 1.23 111.66 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.752 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.04 -36.36 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.795 0.665 . . . . 1.6100000000000001 112.795 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 9.2 mm-40 -98.1 -42.22 7.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 1.6699999999999999 110.812 -171.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.631 ' HG ' HD11 ' B' ' 8' ' ' LEU . 6.6 mp -103.41 24.77 10.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.434 0.635 . . . . 1.4199999999999999 109.781 -178.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -51.28 -32.07 23.42 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.445 -1.252 . . . . 0.78000000000000003 114.359 -172.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -108.29 -1.96 19.64 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.762 -0.375 . . . . 2.1600000000000001 111.611 -171.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -96.62 -58.48 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.472 0.653 . . . . 0.66000000000000003 110.457 -171.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.596 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.2 mt -82.03 139.78 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.969 -1.014 . . . . 0.59999999999999998 109.907 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' O ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -59.83 123.76 18.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 123.167 0.292 . . . . 1.6100000000000001 110.295 -175.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' LYS . 4.4 m-20 42.6 43.86 3.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.977 0.798 . . . . 1.48 111.828 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.596 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.8 tp -61.84 -5.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.98 0.895 . . . . 0.55000000000000004 111.149 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 47' ' ' ASN . 10.7 mmmm -79.01 -20.65 48.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.159 -0.928 . . . . 1.1100000000000001 109.862 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -84.24 128.12 34.37 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.406 -0.815 . . . . 1.5800000000000001 111.249 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.9 tmtp? -62.21 -28.99 70.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.741 -1.118 . . . . 0.92000000000000004 109.955 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.57 77.5 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.276 0.56 . . . . 0.67000000000000004 109.527 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 57' ' ' ILE . 14.1 t -67.79 -44.8 85.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.922 -1.035 . . . . 0.59999999999999998 108.935 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 34' ' ' LYS . 69.1 mt -61.99 -38.44 80.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.653 -1.158 . . . . 0.41999999999999998 111.001 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.606 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 31.3 t70 -63.07 -51.03 68.26 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.47 -0.786 . . . . 1.53 109.2 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.28 -45.09 44.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.713 -1.13 . . . . 1.77 111.439 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.662 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.9 mt -72.4 -52.48 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.807 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 69' ' ' VAL . 83.1 t80 -50.48 -47.06 57.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.71 -0.677 . . . . 1.6799999999999999 110.849 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.4 mm-40 -62.78 -34.36 77.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.457 -0.792 . . . . 1.9199999999999999 110.385 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.21 -26.1 74.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.969 -0.634 . . . . 0.53000000000000003 112.602 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -89.21 -44.6 10.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.102 -0.703 . . . . 0.57999999999999996 109.102 179.392 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -70.87 73.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.305 -0.861 . . . . 1.3999999999999999 110.833 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 -16.41 62.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.174 -0.921 . . . . 1.3 109.954 176.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -20.53 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.418 -0.81 . . . . 2.7999999999999998 109.778 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 56.21 35.1 25.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.783 -1.099 . . . . 2.7200000000000002 110.758 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -114.95 0.39 13.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 2.1299999999999999 110.488 -175.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 69.14 37.57 2.12 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.206 -0.906 . . . . 2.02 110.351 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -137.54 117.45 13.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 2.1600000000000001 109.36 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG13 ' CE1' ' A' ' 58' ' ' PHE . 3.8 m -97.16 107.75 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.374 0.606 . . . . 1.8100000000000001 111.019 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.97 176.18 4.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 2.02 109.556 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -59.67 -28.35 67.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.508 -0.553 . . . . 2.1699999999999999 109.508 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 7.6 tt0 -65.56 -44.37 86.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.274 0.559 . . . . 1.6599999999999999 110.584 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -67.02 -28.25 68.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.743 0.782 . . . . 1.99 109.862 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . 76.7 t80 -73.33 -25.34 60.59 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.495 -0.775 . . . . 1.9199999999999999 110.066 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.62 HG23 ' HB1' ' B' ' 79' ' ' ALA . 1.1 mp -62.42 -44.62 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.379 -0.6 . . . . 0.67000000000000004 109.379 174.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.582 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.3 p -74.32 -28.31 61.1 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.821 -0.627 . . . . 0.73999999999999999 110.7 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.4 tm? -58.54 -47.6 83.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.976 0.417 . . . . 1.1499999999999999 109.984 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.494 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.9 t -68.66 -28.31 39.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.13 -0.486 . . . . 0.33000000000000002 110.271 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' B' ' 75' ' ' ILE . . . -58.28 -50.24 74.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.529 0.681 . . . . 0.42999999999999999 109.55 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.46 -41.78 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.025 -0.989 . . . . 0.40000000000000002 110.461 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.844 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -71.82 -39.8 69.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.396 -0.82 . . . . 0.28000000000000003 112.506 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.513 ' HB2' HG13 ' B' ' 75' ' ' ILE . 94.8 mt -64.32 -41.76 96.65 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.53 0.681 . . . . 0.33000000000000002 109.882 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 8.7 tptm -65.71 -33.77 76.65 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.929 -1.032 . . . . 1.6699999999999999 109.148 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -70.13 -22.92 62.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.504 -0.317 . . . . 0.47999999999999998 111.05 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.29 -60.22 2.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.852 0.315 . . . . 0.56999999999999995 111.852 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.482 ' HB2' HG13 ' B' ' 12' ' ' VAL . 1.5 t60 -77.68 -46.47 21.81 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.427 0.632 . . . . 2.6800000000000002 110.842 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.596 ' HB3' ' O ' ' A' ' 83' ' ' LYS . 22.9 t80 -86.63 24.81 1.36 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.859 -1.064 . . . . 1.8 109.609 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' A' ' 90' ' ' HIS . 31.6 t60 -48.84 17.99 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.085 1.754 . . . . 3.2599999999999998 114.602 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 87' ' ' TYR . 15.0 t -81.82 15.82 2.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.891 -0.781 . . . . 1.26 108.891 172.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 88' ' ' HIS . 30.2 m80 . . . . . 0 CA--C 1.51 -0.585 0 CA-C-N 114.162 -1.381 . . . . 3.4700000000000002 109.189 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.427 0.632 . . . . 3.1000000000000001 110.192 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.39 -18.9 62.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.092 -0.958 . . . . 2.5099999999999998 110.662 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.601 ' O ' HG13 ' B' ' 11' ' ' ILE . 23.6 m-70 -71.49 -49.51 40.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.462 -0.335 . . . . 2.1600000000000001 110.562 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.844 HD13 ' HB1' ' A' ' 81' ' ' ALA . 76.4 mt -63.25 -60.68 3.08 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.34000000000000002 111.245 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -22.38 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.777 -0.647 . . . . 2.4100000000000001 109.994 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.669 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -72.49 -36.34 59.07 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.423 -0.808 . . . . 0.44 112.623 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 7' ' ' HIS . 56.6 mt -74.26 -39.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.308 -0.627 . . . . 1.1599999999999999 109.308 178.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 85' ' ' ALA . 64.9 t -55.53 -39.68 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.183 -0.917 . . . . 0.56999999999999995 109.968 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.02 -32.44 72.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.013 -0.994 . . . . 1.4199999999999999 111.109 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.669 HG13 ' O ' ' B' ' 10' ' ' GLY . 73.9 mt -64.9 -42.63 95.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 120.922 0.391 . . . . 2.0600000000000001 110.622 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.61 -35.29 80.53 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.74 -0.467 . . . . 2.5800000000000001 109.74 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -72.6 -24.95 61.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 2.23 110.946 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 2.77 111.523 -174.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 28' ' ' LEU . 1.1 pt? . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 122.292 1.044 . . . . 2.9100000000000001 110.943 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -100.1 -170.48 1.88 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.754 -1.112 . . . . 1.3500000000000001 110.451 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.575 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 22.4 ttmt -60.21 -23.62 64.17 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 111.509 0.189 . . . . 1.3200000000000001 111.509 -176.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.56 17.08 Favored Glycine 0 C--O 1.235 0.174 0 N-CA-C 114.1 0.4 . . . . 0.40000000000000002 114.1 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' B' ' 32' ' ' GLU . 6.6 pt-20 -69.83 -38.08 76.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.51 0.189 . . . . 2.4300000000000002 111.51 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.661 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -57.52 -51.59 68.86 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.238 -0.653 . . . . 0.52000000000000002 109.238 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' B' ' 54' ' ' ILE . 26.4 ttpp -49.45 -51.28 36.74 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.568 -1.196 . . . . 1.8700000000000001 111.219 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.746 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 6.4 mm100 -61.58 -60.14 4.15 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.227 -0.442 . . . . 2.4500000000000002 110.814 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -47.47 -42.9 23.66 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.566 0.698 . . . . 0.45000000000000001 110.735 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 82.4 mt -68.64 -49.46 58.94 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 116.087 -0.506 . . . . 0.45000000000000001 112.252 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.2 t -71.96 -27.39 62.75 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.687 0.255 . . . . 1.23 111.687 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.746 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -97.11 -36.43 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.71 0.634 . . . . 1.6200000000000001 112.71 -179.294 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 7.6 mm-40 -98.12 -42.2 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 1.6699999999999999 110.772 -171.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.61 ' HG ' HD11 ' A' ' 8' ' ' LEU . 6.6 mp -103.49 24.78 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 1.4199999999999999 109.712 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -51.32 -32.27 24.64 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 114.388 1.255 . . . . 0.78000000000000003 114.388 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -107.69 -2.77 19.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.917 0.389 . . . . 2.1600000000000001 111.702 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -96.11 -58.63 2.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.553 0.692 . . . . 0.66000000000000003 110.389 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.2 mt -81.95 139.57 17.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.949 -1.023 . . . . 0.59999999999999998 109.927 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.41 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -59.56 123.51 17.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.199 0.312 . . . . 1.6100000000000001 110.387 -175.487 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 42.69 43.84 3.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.999 0.812 . . . . 1.48 111.832 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.9 tp -61.81 -5.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.895 0.855 . . . . 0.56000000000000005 111.05 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -79.05 -20.9 47.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.217 -0.902 . . . . 1.1100000000000001 109.782 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.07 128.43 34.55 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.382 -0.826 . . . . 1.5900000000000001 111.112 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.575 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.9 tmtp? -62.75 -28.88 70.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.828 -1.078 . . . . 0.92000000000000004 109.968 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.65 77.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.407 -0.59 . . . . 0.67000000000000004 109.407 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.427 ' O ' HG13 ' B' ' 57' ' ' ILE . 13.9 t -67.68 -44.7 85.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.993 -1.003 . . . . 0.59999999999999998 108.946 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' B' ' 34' ' ' LYS . 69.2 mt -62.21 -38.14 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.691 -1.14 . . . . 0.41999999999999998 110.961 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.616 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 28.2 t70 -63.37 -50.96 67.86 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.436 -0.802 . . . . 1.53 109.219 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -49.25 -45.09 44.28 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.741 -1.118 . . . . 1.77 111.384 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.654 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.4 mt -72.28 -52.45 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.886 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.457 ' CE1' HG13 ' B' ' 69' ' ' VAL . 82.7 t80 -50.68 -47.06 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 1.6699999999999999 110.766 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.8 mm-40 -62.92 -34.11 76.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.804 . . . . 1.9099999999999999 110.381 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.04 -26.55 73.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.939 -0.648 . . . . 0.53000000000000003 112.551 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.7 OUTLIER -88.85 -44.83 10.2 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.137 -0.69 . . . . 0.58999999999999997 109.137 179.518 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -70.57 74.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.24 -0.891 . . . . 1.3999999999999999 110.899 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.4 -16.36 62.95 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.111 -0.95 . . . . 1.3100000000000001 109.971 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -20.48 60.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.566 -0.743 . . . . 2.7999999999999998 109.901 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 56.35 35.16 25.41 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.815 -1.084 . . . . 2.7200000000000002 110.602 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -114.86 0.24 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.897 -0.592 . . . . 2.1400000000000001 110.313 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 68.92 37.64 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.315 -0.857 . . . . 2.0099999999999998 110.35 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -137.35 117.62 13.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.42 -0.809 . . . . 2.1600000000000001 109.336 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.457 HG13 ' CE1' ' B' ' 58' ' ' PHE . 3.9 m -97.34 107.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.345 0.593 . . . . 1.8100000000000001 111.156 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.84 176.27 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.689 -0.687 . . . . 2.02 109.579 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -59.85 -28.22 67.32 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.444 -0.576 . . . . 2.1800000000000002 109.444 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.54 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 7.5 tt0 -65.61 -44.29 87.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.248 0.547 . . . . 1.6699999999999999 110.668 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -67.19 -28.12 67.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.601 0.715 . . . . 1.99 109.683 175.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.443 ' O ' HG23 ' B' ' 78' ' ' VAL . 77.1 t80 -73.32 -25.4 60.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.639 -0.71 . . . . 1.9199999999999999 110.023 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.614 HG23 ' HB1' ' A' ' 79' ' ' ALA . 1.1 mp -62.46 -44.56 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 109.384 -0.599 . . . . 0.67000000000000004 109.384 174.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.587 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.3 p -74.32 -28.28 61.09 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.802 -0.636 . . . . 0.73999999999999999 110.709 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.632 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.4 tm? -58.59 -47.62 83.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 1.1399999999999999 109.967 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.5 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 44.7 t -68.73 -28.13 38.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 0.33000000000000002 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.62 ' HB1' HG23 ' A' ' 75' ' ' ILE . . . -58.41 -50.21 74.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.466 0.651 . . . . 0.42999999999999999 109.513 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.587 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.19 -42.05 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.068 -0.969 . . . . 0.40000000000000002 110.428 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.869 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -71.85 -39.6 69.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.405 -0.816 . . . . 0.28000000000000003 112.532 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.502 ' HB2' HG13 ' A' ' 75' ' ' ILE . 94.8 mt -64.37 -41.96 96.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.515 0.674 . . . . 0.33000000000000002 109.776 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.614 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 8.7 tptm -65.55 -33.62 76.33 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.941 -1.027 . . . . 1.6699999999999999 109.27 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -70.37 -22.81 62.73 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.47 -0.332 . . . . 0.47999999999999998 111.129 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.549 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.33 -60.52 2.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.508 -0.315 . . . . 0.56999999999999995 111.73 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.49 ' HB2' HG13 ' A' ' 12' ' ' VAL . 1.5 t60 -77.41 -46.26 23.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.552 0.691 . . . . 2.6800000000000002 110.952 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.614 ' HB3' ' O ' ' B' ' 83' ' ' LYS . 23.5 t80 -86.93 24.72 1.44 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.913 -1.04 . . . . 1.8 109.503 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 30.9 t60 -48.73 18.25 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.018 1.727 . . . . 3.27 114.648 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.591 ' H ' ' C ' ' B' ' 87' ' ' TYR . 15.1 t -82.09 15.59 2.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.036 -0.727 . . . . 1.27 109.036 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.467 ' H ' ' C ' ' B' ' 88' ' ' HIS . 31.0 m80 . . . . . 0 CA--C 1.51 -0.569 0 CA-C-N 114.014 -1.448 . . . . 3.4700000000000002 109.274 -175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.184 0.516 . . . . 3.1000000000000001 109.655 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.83 -25.65 65.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.638 -0.71 . . . . 2.5099999999999998 110.896 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.428 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.6 m-70 -78.83 -50.65 10.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.257 -0.429 . . . . 2.1600000000000001 110.064 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.723 HD13 ' HB1' ' B' ' 81' ' ' ALA . 84.8 mt -62.46 -60.3 3.74 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.613 0.57 . . . . 0.34000000000000002 110.767 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.01 -32.61 72.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.231 -0.895 . . . . 2.4100000000000001 110.608 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.25 92.86 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.945 -0.571 . . . . 0.44 112.631 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 14' ' ' ILE . 29.2 mm -66.96 -41.68 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.64 0.733 . . . . 1.1599999999999999 109.662 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -64.07 -45.84 95.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.087 -0.96 . . . . 0.56999999999999995 111.363 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.68 -40.08 94.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 1.4199999999999999 111.227 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 11' ' ' ILE . 10.0 tp -70.56 -28.03 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.847 -0.341 . . . . 2.0600000000000001 110.733 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.414 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.5 t80 -70.4 -36.14 73.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.579 -0.526 . . . . 2.5699999999999998 109.579 175.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -70.43 -19.98 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.576 -0.738 . . . . 2.23 110.165 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 2.77 110.669 179.042 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 120.954 0.407 . . . . 2.9100000000000001 110.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -103.37 -171.71 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.578 -0.283 . . . . 1.3500000000000001 111.27 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 20.7 ttmt -64.86 -25.43 67.89 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.939 -0.304 . . . . 1.3200000000000001 110.826 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.73 -53.83 34.0 Favored Glycine 0 CA--C 1.505 -0.546 0 CA-C-O 121.564 0.536 . . . . 0.40000000000000002 112.407 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -76.04 -38.65 56.95 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.288 -0.956 . . . . 2.4399999999999999 110.831 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 25.0 tp -60.98 -47.99 83.88 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.354 -0.839 . . . . 0.52000000000000002 109.033 175.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HG3' HD13 ' A' ' 54' ' ' ILE . 4.4 ttpm? -54.25 -50.53 67.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.68 . . . . 1.8700000000000001 110.53 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 8.7 tt0 -53.45 -59.42 4.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.917 -0.583 . . . . 2.46 110.492 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.55 -51.93 63.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 120.942 0.401 . . . . 0.45000000000000001 110.848 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 84.5 mt -63.62 -47.82 79.8 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.61 0.596 . . . . 0.45000000000000001 112.61 -173.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 32.5 p -64.5 -33.23 75.42 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.677 0.251 . . . . 1.23 111.677 -174.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -96.17 -37.13 10.7 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.404 0.52 . . . . 1.6100000000000001 112.404 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 59.6 mm-40 -90.34 -47.01 8.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.126 -0.23 . . . . 1.6699999999999999 111.459 -170.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' B' ' 8' ' ' LEU . 1.6 mm? -108.27 30.31 6.53 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.396 0.617 . . . . 1.4199999999999999 110.573 -177.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -58.05 -24.06 56.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.069 -0.969 . . . . 0.78000000000000003 111.814 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -98.87 -5.17 31.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.871 -0.604 . . . . 2.1600000000000001 111.322 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.25 -62.39 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.45 0.643 . . . . 0.66000000000000003 110.987 -170.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.615 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.9 mt -80.68 131.32 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.313 -0.858 . . . . 0.59999999999999998 110.399 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.67 30.88 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.219 0.325 . . . . 1.6100000000000001 110.702 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.429 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.0 m-20 44.54 41.43 4.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.713 -0.676 . . . . 1.48 112.023 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.615 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.3 tp -65.41 -4.37 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 122.048 0.928 . . . . 0.55000000000000004 110.377 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -82.02 -18.33 43.68 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.773 -1.103 . . . . 1.1100000000000001 109.792 179.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.06 127.55 33.67 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.292 -0.867 . . . . 1.5800000000000001 110.759 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.31 -23.85 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.625 -0.716 . . . . 0.92000000000000004 109.882 178.483 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.03 74.97 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.969 -0.752 . . . . 0.67000000000000004 108.969 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 57' ' ' ILE . 42.4 t -71.96 -45.83 62.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.742 -1.117 . . . . 0.59999999999999998 109.428 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.522 HD13 ' HG3' ' A' ' 34' ' ' LYS . 95.9 mt -60.08 -42.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.091 -0.959 . . . . 0.41999999999999998 111.305 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.9 t70 -63.79 -48.36 77.2 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.949 -0.569 . . . . 1.53 109.999 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -47.87 -45.84 30.79 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.728 -0.669 . . . . 1.77 111.113 175.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.574 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 mm -73.31 -52.82 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.894 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -50.73 -48.55 58.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.551 -0.749 . . . . 1.6799999999999999 110.79 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mm-40 -64.42 -30.53 71.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.224 -0.898 . . . . 1.9199999999999999 110.657 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.99 75.99 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.908 -0.663 . . . . 0.53000000000000003 112.369 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -93.6 -43.15 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.148 -0.686 . . . . 0.57999999999999996 109.148 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -79.75 73.84 6.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.011 -0.995 . . . . 1.3999999999999999 110.206 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.46 -16.02 60.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.342 -0.845 . . . . 1.3 110.199 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.33 -20.23 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.437 -0.801 . . . . 2.7999999999999998 110.414 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 62.97 37.28 11.98 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.919 -1.037 . . . . 2.7200000000000002 111.141 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -107.67 -2.65 19.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.495 . . . . 2.1299999999999999 110.761 -175.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 68.15 41.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.358 -0.837 . . . . 2.02 111.718 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 11.1 pt20 -151.75 117.87 5.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.074 -0.512 . . . . 2.1600000000000001 110.228 173.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -101.51 125.22 55.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.443 0.639 . . . . 1.8100000000000001 111.22 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -82.9 -175.59 5.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.763 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -64.46 -30.0 71.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.754 0.312 . . . . 2.1699999999999999 110.177 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.589 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 33.1 tt0 -67.18 -40.39 86.58 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.529 0.68 . . . . 1.6599999999999999 110.62 175.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 25.7 mt-10 -76.55 -30.21 57.0 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.391 0.615 . . . . 1.99 109.975 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 78' ' ' VAL . 58.4 t80 -72.05 -20.99 61.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.944 -0.571 . . . . 1.9199999999999999 109.574 172.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.589 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.6 OUTLIER -66.65 -44.29 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.652 -0.704 . . . . 0.67000000000000004 109.216 177.279 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.529 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.1 p -65.71 -32.03 73.36 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.736 -0.666 . . . . 0.73999999999999999 110.464 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.2 tm? -57.4 -45.39 84.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.954 0.407 . . . . 1.1499999999999999 109.986 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 74' ' ' PHE . 13.4 t -67.17 -29.03 44.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 116.011 -0.54 . . . . 0.33000000000000002 110.062 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -62.67 -44.37 96.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.37 0.605 . . . . 0.42999999999999999 109.711 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.529 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -58.71 -47.91 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.356 -0.838 . . . . 0.40000000000000002 109.851 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -70.13 -33.84 72.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.025 -0.989 . . . . 0.28000000000000003 112.4 -173.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 80.0 mt -66.65 -41.43 88.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.818 0.342 . . . . 0.33000000000000002 110.797 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -76.94 -30.82 56.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.374 -0.93 . . . . 1.6699999999999999 110.492 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -54.63 -25.88 29.41 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.81 -0.356 . . . . 0.47999999999999998 111.104 166.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.01 -53.54 5.74 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.05 0.389 . . . . 0.56999999999999995 112.05 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' A' ' 88' ' ' HIS . 28.2 t-80 -82.5 -58.92 2.71 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.359 0.599 . . . . 2.6800000000000002 110.702 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.52 ' C ' ' H ' ' A' ' 89' ' ' THR . 34.9 t80 -74.97 22.96 0.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.049 -0.978 . . . . 1.8 110.503 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.5 p-80 -49.46 13.58 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.14 1.533 . . . . 3.2599999999999998 115.14 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.52 ' H ' ' C ' ' A' ' 87' ' ' TYR . 6.0 t -74.81 -38.53 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.219 -1.03 . . . . 1.26 108.219 174.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 CA--C 1.517 -0.327 0 CA-C-N 114.618 -1.174 . . . . 3.4700000000000002 109.03 175.387 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 121.171 0.51 . . . . 3.1000000000000001 109.636 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.36 -25.92 64.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.655 -0.702 . . . . 2.5099999999999998 111.01 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.428 ' O ' HG12 ' B' ' 11' ' ' ILE . 19.8 m-70 -78.74 -50.61 11.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.245 -0.434 . . . . 2.1600000000000001 110.047 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.708 HD13 ' HB1' ' A' ' 81' ' ' ALA . 84.8 mt -62.58 -60.24 3.8 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.517 0.511 . . . . 0.34000000000000002 110.693 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.92 -32.58 72.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.322 -0.853 . . . . 2.4100000000000001 110.647 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.21 92.59 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.971 -0.559 . . . . 0.44 112.521 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.493 ' O ' HG22 ' B' ' 14' ' ' ILE . 29.0 mm -67.04 -41.82 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 1.1599999999999999 109.596 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.83 -45.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.144 -0.935 . . . . 0.56999999999999995 111.311 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -64.63 -40.18 95.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 1.4199999999999999 111.345 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.493 HG22 ' O ' ' B' ' 11' ' ' ILE . 9.9 tp -70.47 -28.02 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.904 -0.318 . . . . 2.0600000000000001 110.758 -177.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.8 t80 -70.55 -35.97 73.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.572 -0.529 . . . . 2.5800000000000001 109.572 175.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.5 -19.86 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 2.23 110.209 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 2.77 110.736 179.131 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 120.94 0.4 . . . . 2.9100000000000001 110.22 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -103.42 -171.78 2.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.583 -0.281 . . . . 1.3500000000000001 111.261 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 20.7 ttmt -64.96 -25.36 67.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.912 -0.315 . . . . 1.3200000000000001 110.756 -177.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.62 -53.81 33.8 Favored Glycine 0 CA--C 1.504 -0.606 0 C-N-CA 121.118 -0.563 . . . . 0.40000000000000002 112.5 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -76.16 -38.38 56.74 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.209 -0.996 . . . . 2.4300000000000002 110.851 -172.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.9 tp -61.17 -47.89 84.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.301 -0.863 . . . . 0.52000000000000002 109.222 175.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.514 ' HG3' HD13 ' B' ' 54' ' ' ILE . 4.4 ttpm? -54.1 -50.81 66.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 1.8700000000000001 110.569 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 8.7 tt0 -53.21 -59.54 4.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 2.4500000000000002 110.451 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.59 -52.06 63.35 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.384 0.428 . . . . 0.45000000000000001 110.822 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 84.4 mt -63.38 -48.05 79.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.683 0.623 . . . . 0.45000000000000001 112.683 -173.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 31.4 p -64.38 -33.06 74.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.676 0.274 . . . . 1.23 111.716 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.4 ptmm? -96.36 -37.11 10.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.415 0.524 . . . . 1.6200000000000001 112.415 -176.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.461 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 59.9 mm-40 -90.38 -46.95 8.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.543 0.211 . . . . 1.6699999999999999 111.5 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.454 ' HG ' HD11 ' A' ' 8' ' ' LEU . 1.6 mm? -108.54 30.43 6.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.287 0.565 . . . . 1.4199999999999999 110.501 -177.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -58.12 -24.08 57.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.103 -0.953 . . . . 0.78000000000000003 111.896 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.75 -5.22 31.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.846 -0.615 . . . . 2.1600000000000001 111.304 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.17 -62.14 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.478 0.656 . . . . 0.66000000000000003 111.069 -170.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.612 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.7 mt -81.06 131.09 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.325 -0.852 . . . . 0.59999999999999998 110.453 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.423 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.81 31.55 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.05 0.219 . . . . 1.6100000000000001 110.831 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.423 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.0 m-20 44.69 41.48 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.846 0.716 . . . . 1.48 112.002 177.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.612 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.3 tp -65.61 -4.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.086 0.946 . . . . 0.56000000000000005 110.276 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -81.87 -18.3 44.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.743 -1.117 . . . . 1.1100000000000001 109.804 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.14 127.2 33.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.31 -0.859 . . . . 1.5900000000000001 110.663 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.466 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.01 -23.92 65.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.585 -0.734 . . . . 0.92000000000000004 109.934 178.094 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.05 75.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.005 -0.739 . . . . 0.67000000000000004 109.005 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.468 ' O ' HG12 ' B' ' 57' ' ' ILE . 42.5 t -72.15 -45.86 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.73 -1.123 . . . . 0.59999999999999998 109.464 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.514 HD13 ' HG3' ' B' ' 34' ' ' LYS . 95.9 mt -59.9 -41.98 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.067 -0.969 . . . . 0.41999999999999998 111.22 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 22.3 t70 -63.92 -48.14 77.75 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.981 -0.554 . . . . 1.53 109.918 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -48.36 -45.35 35.43 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.671 -0.695 . . . . 1.77 111.096 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.573 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 23.4 mm -73.64 -53.0 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.922 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.71 -48.73 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 1.6699999999999999 110.842 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.0 mm-40 -64.2 -30.51 71.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.241 -0.89 . . . . 1.9099999999999999 110.525 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -25.07 75.9 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.822 -0.704 . . . . 0.53000000000000003 112.478 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.4 OUTLIER -93.5 -42.96 8.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.14 -0.689 . . . . 0.58999999999999997 109.14 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -79.92 73.85 6.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.063 -0.971 . . . . 1.3999999999999999 110.312 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.33 -16.05 60.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.422 -0.808 . . . . 1.3100000000000001 110.145 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.22 -20.17 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.455 -0.793 . . . . 2.7999999999999998 110.226 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 63.02 37.03 12.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.076 -0.966 . . . . 2.7200000000000002 111.085 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -107.54 -2.55 20.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.174 0.512 . . . . 2.1400000000000001 110.847 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 68.26 41.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.355 -0.839 . . . . 2.0099999999999998 111.784 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 11.1 pt20 -151.51 117.89 5.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 2.1600000000000001 110.233 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 m -101.54 125.11 55.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.455 0.645 . . . . 1.8100000000000001 111.201 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.81 -175.35 5.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 2.02 109.792 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.57 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.153 -0.314 . . . . 2.1800000000000002 110.153 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.588 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 33.3 tt0 -67.16 -40.8 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.584 0.707 . . . . 1.6699999999999999 110.583 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 26.0 mt-10 -76.15 -30.24 58.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.801 -0.636 . . . . 1.99 109.931 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 78' ' ' VAL . 57.7 t80 -71.96 -21.13 61.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.953 -0.567 . . . . 1.9199999999999999 109.552 172.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.588 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.6 OUTLIER -66.59 -44.12 90.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 0.67000000000000004 109.202 177.33 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.542 ' O ' HD13 ' B' ' 80' ' ' ILE . 0.9 OUTLIER -65.85 -31.94 73.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.743 -0.662 . . . . 0.73999999999999999 110.49 173.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.2 tm? -57.5 -45.26 85.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.92 -0.4 . . . . 1.1399999999999999 109.92 176.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 74' ' ' PHE . 13.3 t -67.32 -29.08 44.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.153 -0.476 . . . . 0.33000000000000002 109.978 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.56 -44.5 96.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.357 0.598 . . . . 0.42999999999999999 109.689 174.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.542 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -58.67 -47.81 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.234 -0.894 . . . . 0.40000000000000002 109.942 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.723 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -70.3 -33.69 71.85 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.003 -0.999 . . . . 0.28000000000000003 112.465 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 80.1 mt -66.74 -41.45 87.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.752 0.311 . . . . 0.33000000000000002 110.711 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.355 -0.938 . . . . 1.6699999999999999 110.401 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.593 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -54.51 -26.0 28.96 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.79 -0.364 . . . . 0.47999999999999998 111.026 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.04 -53.04 6.11 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.173 0.435 . . . . 0.56999999999999995 112.173 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' B' ' 88' ' ' HIS . 28.6 t-80 -82.84 -58.81 2.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.208 0.528 . . . . 2.6800000000000002 110.833 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.509 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.5 t80 -75.13 22.85 0.11 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.186 0.994 . . . . 1.8 110.518 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.5 p-80 -49.31 13.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.317 1.599 . . . . 3.27 115.317 -177.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.9 t -74.67 -38.6 62.38 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.313 -0.995 . . . . 1.27 108.313 174.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 CA--C 1.517 -0.305 0 CA-C-N 114.531 -1.213 . . . . 3.4700000000000002 109.034 175.344 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.596 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.7 pt-20 . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 113.289 0.848 . . . . 3.1000000000000001 113.289 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -33.15 72.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.297 0.57 . . . . 2.5099999999999998 110.178 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.536 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 63.9 m-70 -82.99 -30.94 27.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.792 -0.64 . . . . 2.1600000000000001 110.594 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.598 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 87.6 mt -74.0 -60.6 2.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.166 0.508 . . . . 0.34000000000000002 110.78 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.06 -22.18 65.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.577 -0.738 . . . . 2.4100000000000001 109.128 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.717 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -62.52 -46.93 92.77 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.638 -0.71 . . . . 0.44 111.687 172.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.607 HG21 HG21 ' A' ' 78' ' ' VAL . 22.4 mm -62.48 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.217 0.532 . . . . 1.1599999999999999 110.01 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.515 ' CG1' ' HB2' ' B' ' 86' ' ' HIS . 33.9 t -49.92 -42.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.232 -0.894 . . . . 0.56999999999999995 111.101 171.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -78.73 -18.03 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.684 . . . . 1.4199999999999999 111.196 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.717 HG12 ' O ' ' A' ' 10' ' ' GLY . 48.6 mm -74.7 -36.56 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.066 0.46 . . . . 2.0600000000000001 109.876 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -64.63 -37.37 87.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.272 -1.01 . . . . 2.5699999999999998 108.272 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -69.98 -20.47 63.3 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.76 -1.109 . . . . 2.23 110.765 174.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.509 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 29.7 tt0 . . . . . 0 C--N 1.326 -0.414 0 N-CA-C 109.699 -0.482 . . . . 2.77 109.699 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.235 0.321 0 CA-C-O 121.679 0.752 . . . . 2.9100000000000001 112.182 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 p -104.88 -178.8 3.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.552 -0.749 . . . . 1.3500000000000001 111.078 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 3.0 ttmp? -48.85 -20.04 0.45 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.527 1.306 . . . . 1.3200000000000001 114.527 -166.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.52 -42.11 26.41 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 114.474 0.55 . . . . 0.40000000000000002 114.474 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -42.34 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.065 0.432 . . . . 2.4399999999999999 111.565 -173.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.501 HD11 ' HG ' ' A' ' 77' ' ' LEU . 14.5 tp -58.87 -42.43 89.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.389 -0.597 . . . . 0.52000000000000002 109.389 175.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HA ' HD13 ' A' ' 54' ' ' ILE . 27.8 ttpp -56.48 -46.19 80.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.015 -0.993 . . . . 1.8700000000000001 110.658 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.614 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 35.1 mt-30 -63.56 -61.77 2.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.509 -0.314 . . . . 2.46 110.784 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.652 HD11 HG22 ' A' ' 14' ' ' ILE . 10.5 tt -48.31 -50.11 31.42 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.586 0.554 . . . . 0.45000000000000001 111.084 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.1 mt -65.68 -47.26 76.06 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.378 0.51 . . . . 0.45000000000000001 112.378 -175.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 49' ' ' LYS . 34.7 p -67.64 -30.14 69.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.719 0.266 . . . . 1.23 111.719 -175.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.7 ptmm? -96.59 -37.94 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.326 0.491 . . . . 1.6100000000000001 112.326 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 13.5 mm-40 -94.47 -36.09 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 1.6699999999999999 111.214 -170.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.507 HD13 HD11 ' B' ' 8' ' ' LEU . 26.4 mt -116.94 29.43 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.373 0.606 . . . . 1.4199999999999999 109.632 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.1 -34.78 45.61 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.529 -1.214 . . . . 0.78000000000000003 113.254 -176.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -99.0 -10.78 22.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.783 0.325 . . . . 2.1600000000000001 111.488 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.616 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -91.19 -65.88 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.593 0.711 . . . . 0.66000000000000003 110.513 -168.329 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.4 mt -73.32 132.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 114.668 -1.151 . . . . 0.59999999999999998 109.227 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 125.84 25.26 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 123.139 0.274 . . . . 1.6100000000000001 110.583 -174.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.4 ' HB2' HG21 ' A' ' 53' ' ' VAL . 2.1 m-20 47.84 39.99 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.659 -0.701 . . . . 1.48 110.911 176.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.5 tp -60.94 -9.46 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.76 0.791 . . . . 0.55000000000000004 111.073 -176.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.7 mmmm -81.14 -7.89 59.65 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.192 -0.913 . . . . 1.1100000000000001 110.522 -178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 54' ' ' ILE . 3.1 t70 -95.59 132.47 40.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.825 -0.625 . . . . 1.5800000000000001 110.185 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -22.34 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 0.92000000000000004 110.051 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.27 -32.8 73.23 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.634 0.73 . . . . 0.67000000000000004 109.067 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.6 t -80.61 -46.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.561 -1.2 . . . . 0.59999999999999998 109.659 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 34' ' ' LYS . 47.5 mt -58.18 -36.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 0.41999999999999998 110.812 175.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -62.79 -52.87 61.51 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 115.543 -0.753 . . . . 1.53 109.135 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 41.9 mm-40 -47.62 -47.43 29.0 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.381 -0.827 . . . . 1.77 111.555 176.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.45 -59.22 4.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.935 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 27.4 t80 -59.56 -44.74 93.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.18 -0.463 . . . . 1.6799999999999999 110.52 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.11 -26.4 68.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.37 -0.832 . . . . 1.9199999999999999 110.24 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.7 63.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.53000000000000003 112.266 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.625 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mt -87.61 -46.89 9.14 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.897 -0.779 . . . . 0.57999999999999996 108.897 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.96 73.78 1.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.683 -1.144 . . . . 1.3999999999999999 110.514 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.13 63.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.083 -0.962 . . . . 1.3 110.682 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -73.37 -19.68 60.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.65 -0.704 . . . . 2.7999999999999998 110.286 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 61.61 38.6 15.31 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 114.89 -1.05 . . . . 2.7200000000000002 111.717 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -118.05 8.1 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.292 0.568 . . . . 2.1299999999999999 110.183 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 67.88 44.17 1.6 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.959 -1.019 . . . . 2.02 110.906 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -137.16 118.01 14.15 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.938 0.399 . . . . 2.1600000000000001 110.957 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 p -91.58 108.88 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.285 0.564 . . . . 1.8100000000000001 111.23 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.612 ' HB2' ' OE1' ' A' ' 73' ' ' GLU . 4.7 m-20 -81.98 179.14 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.801 -0.562 . . . . 2.02 109.755 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -60.37 -32.55 71.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.714 -0.394 . . . . 2.1699999999999999 110.324 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.449 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.7 tt0 -70.01 -43.11 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 1.6599999999999999 111.067 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 61' ' ' LEU . 3.7 mp0 -63.48 -41.41 98.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 1.99 109.524 175.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.2 t80 -65.75 -28.67 69.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.73 . . . . 1.9199999999999999 110.159 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.536 HG12 ' HB2' ' B' ' 82' ' ' LEU . 1.3 mt -65.17 -39.05 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 0.67000000000000004 109.255 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD13 ' A' ' 80' ' ' ILE . 27.8 m -64.19 -40.53 96.27 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.876 -1.056 . . . . 0.73999999999999999 109.673 176.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.511 HD23 ' CG2' ' A' ' 57' ' ' ILE . 1.4 tm? -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 1.1499999999999999 110.378 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.666 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 21.9 t -62.81 -33.45 60.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 0.33000000000000002 109.941 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -62.45 -48.25 80.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.0 -0.545 . . . . 0.42999999999999999 110.175 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.06 -43.84 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.358 -0.837 . . . . 0.40000000000000002 110.364 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -73.82 -30.25 62.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.197 -0.91 . . . . 0.28000000000000003 111.923 -174.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 48.5 mt -64.43 -42.89 95.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.124 0.488 . . . . 0.33000000000000002 109.69 173.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -61.07 -46.67 89.72 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 115.618 -0.719 . . . . 1.6699999999999999 109.568 173.31 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.46 -22.35 54.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.0 -0.545 . . . . 0.47999999999999998 111.919 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -81.06 -59.87 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.306 0.484 . . . . 0.56999999999999995 112.306 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.521 ' HB2' ' CG1' ' B' ' 12' ' ' VAL . 78.5 t60 -86.29 -36.35 19.37 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.138 0.494 . . . . 2.6800000000000002 111.26 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.557 ' C ' ' H ' ' A' ' 89' ' ' THR . 35.7 t80 -86.02 23.44 1.5 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.44 -0.8 . . . . 1.8 108.987 174.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.65 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 16.8 t-80 -46.61 19.2 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 126.651 1.981 . . . . 3.2599999999999998 115.2 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.557 ' H ' ' C ' ' A' ' 87' ' ' TYR . 11.6 t -93.84 21.14 6.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.691 -0.855 . . . . 1.26 108.691 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 89' ' ' THR . 16.5 m170 . . . . . 0 CA--C 1.507 -0.709 0 CA-C-N 114.039 -1.437 . . . . 3.4700000000000002 108.862 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.616 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.7 pt-20 . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 113.193 0.812 . . . . 3.1000000000000001 113.193 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -33.25 73.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.477 0.656 . . . . 2.5099999999999998 110.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.542 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 63.6 m-70 -82.94 -31.0 27.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.803 -0.635 . . . . 2.1600000000000001 110.604 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.595 HD13 ' HB1' ' A' ' 81' ' ' ALA . 87.5 mt -73.9 -60.68 2.14 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.08 0.467 . . . . 0.34000000000000002 110.725 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.99 -22.36 65.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.532 -0.758 . . . . 2.4100000000000001 109.133 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.698 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -62.19 -47.22 91.24 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.551 -0.75 . . . . 0.44 111.59 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.601 HG21 HG21 ' B' ' 78' ' ' VAL . 22.5 mm -62.29 -45.42 98.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.235 0.54 . . . . 1.1599999999999999 110.043 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.521 ' CG1' ' HB2' ' A' ' 86' ' ' HIS . 34.7 t -50.06 -42.53 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.162 -0.927 . . . . 0.56999999999999995 111.18 171.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.75 -17.95 55.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 1.4199999999999999 111.327 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.698 HG12 ' O ' ' B' ' 10' ' ' GLY . 48.8 mm -74.74 -36.74 41.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.119 0.485 . . . . 2.0600000000000001 109.867 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.5 -37.62 88.18 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.238 -1.023 . . . . 2.5800000000000001 108.238 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -69.76 -20.59 63.49 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.651 -1.159 . . . . 2.23 110.887 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.505 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 29.8 tt0 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 109.608 -0.516 . . . . 2.77 109.608 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 121.739 0.78 . . . . 2.9100000000000001 112.204 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -104.9 -178.79 3.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.522 -0.763 . . . . 1.3500000000000001 111.098 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 3.0 ttmp? -48.66 -20.12 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.575 1.324 . . . . 1.3200000000000001 114.575 -166.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.63 -42.2 27.39 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 114.403 0.521 . . . . 0.40000000000000002 114.403 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -42.21 18.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.011 0.405 . . . . 2.4300000000000002 111.551 -173.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.5 tp -58.89 -42.28 89.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.317 0.58 . . . . 0.52000000000000002 109.487 174.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.478 ' HA ' HD13 ' B' ' 54' ' ' ILE . 27.7 ttpp -56.72 -46.07 81.52 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.077 -0.965 . . . . 1.8700000000000001 110.755 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.631 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 35.2 mt-30 -63.61 -61.71 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.428 -0.351 . . . . 2.4500000000000002 110.686 174.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.661 HD11 HG22 ' B' ' 14' ' ' ILE . 10.5 tt -48.31 -50.22 30.96 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.634 0.584 . . . . 0.45000000000000001 111.121 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 80.6 mt -65.52 -47.34 76.27 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.442 0.534 . . . . 0.45000000000000001 112.442 -175.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.471 HG22 ' HA ' ' B' ' 49' ' ' LYS . 35.1 p -67.69 -29.87 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.796 0.295 . . . . 1.23 111.796 -175.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.6 ptmm? -96.75 -37.94 10.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.347 0.499 . . . . 1.6200000000000001 112.347 -177.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.443 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 14.4 mm-40 -94.52 -35.99 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.923 0.392 . . . . 1.6699999999999999 111.16 -170.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.505 HD13 HD11 ' A' ' 8' ' ' LEU . 26.4 mt -116.83 29.37 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.505 0.669 . . . . 1.4199999999999999 109.717 -176.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.21 -34.24 44.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.48 -1.237 . . . . 0.78000000000000003 113.311 -176.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -99.3 -10.99 21.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.739 0.304 . . . . 2.1600000000000001 111.585 -173.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.596 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -91.02 -65.83 0.98 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.553 0.692 . . . . 0.66000000000000003 110.5 -168.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -73.39 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 114.602 -1.181 . . . . 0.59999999999999998 109.171 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.404 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -59.28 126.0 25.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 123.147 0.279 . . . . 1.6100000000000001 110.586 -174.238 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 47.82 40.02 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.612 -0.722 . . . . 1.48 110.948 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.5 tp -61.01 -9.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.887 0.851 . . . . 0.56000000000000005 111.063 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.471 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.7 mmmm -81.16 -7.98 59.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.145 -0.934 . . . . 1.1100000000000001 110.333 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.444 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.8 t70 -95.46 132.33 40.65 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.912 -0.585 . . . . 1.5900000000000001 110.235 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -22.71 65.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.918 -0.583 . . . . 0.92000000000000004 109.943 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.26 -32.55 72.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.742 0.782 . . . . 0.67000000000000004 109.125 175.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.476 ' O ' HD13 ' B' ' 57' ' ' ILE . 21.5 t -80.62 -46.73 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.684 -1.143 . . . . 0.59999999999999998 109.647 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' B' ' 34' ' ' LYS . 47.7 mt -57.88 -36.4 55.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.685 -0.689 . . . . 0.41999999999999998 110.852 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.8 -52.88 61.45 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.438 -0.801 . . . . 1.53 109.134 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -47.73 -47.51 30.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.329 -0.85 . . . . 1.77 111.492 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.608 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -65.33 -59.09 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.95 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 27.3 t80 -59.6 -44.78 93.28 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.072 0.463 . . . . 1.6699999999999999 110.557 -172.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.02 -26.4 68.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.331 -0.849 . . . . 1.9099999999999999 110.217 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -26.71 63.56 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.957 -0.64 . . . . 0.53000000000000003 112.192 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' B' ' 73' ' ' GLU . 1.1 mt -87.61 -46.68 9.33 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.948 -0.76 . . . . 0.58999999999999997 108.948 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.25 74.14 1.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.637 -1.165 . . . . 1.3999999999999999 110.547 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.16 -21.49 63.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.146 -0.934 . . . . 1.3100000000000001 110.679 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -73.0 -19.82 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 2.7999999999999998 110.288 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 61.78 38.34 14.96 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 114.985 -1.007 . . . . 2.7200000000000002 111.82 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -117.83 7.62 12.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.341 0.591 . . . . 2.1400000000000001 110.161 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 68.33 44.12 1.39 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.055 -0.975 . . . . 2.0099999999999998 110.829 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -137.06 118.13 14.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.806 0.336 . . . . 2.1600000000000001 110.821 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.61 109.0 20.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.267 0.556 . . . . 1.8100000000000001 111.168 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.627 ' HB2' ' OE1' ' B' ' 73' ' ' GLU . 4.9 m-20 -81.95 179.14 7.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.846 -0.533 . . . . 2.02 109.827 172.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -60.33 -32.51 71.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.671 -0.412 . . . . 2.1800000000000002 110.378 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.457 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.4 tt0 -70.24 -42.9 71.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 1.6699999999999999 110.97 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' B' ' 61' ' ' LEU . 3.3 mp0 -63.6 -41.54 98.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.329 0.585 . . . . 1.99 109.527 175.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.531 ' O ' HG23 ' B' ' 78' ' ' VAL . 79.2 t80 -65.67 -28.67 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.529 -0.759 . . . . 1.9199999999999999 110.199 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.526 HG12 ' HB2' ' A' ' 82' ' ' LEU . 1.3 mt -65.17 -39.15 84.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.473 -0.785 . . . . 0.67000000000000004 109.361 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.557 ' O ' HD13 ' B' ' 80' ' ' ILE . 25.5 m -63.95 -40.59 96.77 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.792 -1.095 . . . . 0.73999999999999999 109.664 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.508 HD23 ' CG2' ' B' ' 57' ' ' ILE . 1.4 tm? -57.12 -45.97 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.1399999999999999 110.329 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.663 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.0 t -62.83 -33.41 60.1 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.884 -0.413 . . . . 0.33000000000000002 109.884 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.52 -48.04 81.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.257 0.551 . . . . 0.42999999999999999 110.132 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.557 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.23 -43.9 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.371 -0.831 . . . . 0.40000000000000002 110.287 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.598 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -73.82 -30.2 62.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.216 -0.902 . . . . 0.28000000000000003 111.918 -174.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 47.6 mt -64.54 -42.8 95.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.575 -0.528 . . . . 0.33000000000000002 109.575 173.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.0 OUTLIER -61.06 -46.71 89.56 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.665 -0.698 . . . . 1.6699999999999999 109.537 173.314 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.45 -22.24 53.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.988 -0.551 . . . . 0.47999999999999998 111.995 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -81.16 -59.64 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.378 0.51 . . . . 0.56999999999999995 112.378 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.515 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 78.4 t60 -86.52 -36.32 19.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.417 0.627 . . . . 2.6800000000000002 111.349 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.557 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.7 t80 -86.03 23.57 1.47 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.45 -0.795 . . . . 1.8 108.989 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . 0.624 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 16.7 t-80 -46.78 19.31 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 126.682 1.993 . . . . 3.27 115.208 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.557 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.6 t -94.06 21.29 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.807 -0.812 . . . . 1.27 108.807 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' B' ' 89' ' ' THR . 16.5 m170 . . . . . 0 CA--C 1.507 -0.703 0 CA-C-N 113.877 -1.51 . . . . 3.4700000000000002 108.88 -175.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.315 0.579 . . . . 3.1000000000000001 111.37 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -65.63 -18.37 65.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.343 -0.844 . . . . 2.5099999999999998 109.647 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.57 ' O ' HG13 ' A' ' 11' ' ' ILE . 55.7 m-70 -62.82 -57.86 9.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.805 -0.813 . . . . 2.1600000000000001 108.805 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.678 HD13 ' HB1' ' B' ' 81' ' ' ALA . 31.1 mt -74.54 -56.05 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.843 -1.072 . . . . 0.34000000000000002 111.256 -175.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.03 -21.99 66.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 2.4100000000000001 110.612 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.5 -40.67 53.7 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.86 -0.686 . . . . 0.44 111.757 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 7' ' ' HIS . 76.2 mt -69.1 -37.98 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.497 0.665 . . . . 1.1599999999999999 110.028 177.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' B' ' 85' ' ' ALA . 74.2 t -66.91 -35.68 75.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.541 -0.754 . . . . 0.56999999999999995 110.607 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.68 -40.83 69.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 1.4199999999999999 111.284 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 11' ' ' ILE . 33.6 pt -66.77 -29.1 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.265 -0.574 . . . . 2.0600000000000001 110.497 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.53 -35.36 78.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.222 -0.659 . . . . 2.5699999999999998 109.222 174.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -66.98 -21.42 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.636 -0.711 . . . . 2.23 110.773 174.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.415 -0.357 . . . . 2.77 111.299 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB2' ' OE1' ' A' ' 32' ' ' GLU . 90.8 mt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 112.635 0.606 . . . . 2.9100000000000001 112.635 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -94.74 -170.89 2.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.367 0.877 . . . . 1.3500000000000001 113.367 -166.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 10.5 ttmm -47.41 -37.97 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.793 1.035 . . . . 1.3200000000000001 113.793 -172.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.29 -57.77 4.82 Favored Glycine 0 N--CA 1.465 0.615 0 N-CA-C 114.975 0.75 . . . . 0.40000000000000002 114.975 -172.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE1' ' HB2' ' A' ' 28' ' ' LEU . 2.8 pt-20 -65.14 -36.23 83.6 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.461 0.541 . . . . 2.4399999999999999 112.461 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.571 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 18.1 tp -66.02 -45.03 82.99 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.783 -0.821 . . . . 0.52000000000000002 108.783 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HA ' HD13 ' A' ' 54' ' ' ILE . 13.1 tmtt? -57.72 -44.85 86.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.662 -1.154 . . . . 1.8700000000000001 110.449 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 36.5 tt0 -55.03 -59.02 5.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.978 -0.555 . . . . 2.46 110.171 174.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 9.8 tt -49.6 -60.46 2.84 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.943 -0.571 . . . . 0.45000000000000001 110.206 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.1 mt -53.24 -47.62 68.89 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 113.319 0.859 . . . . 0.45000000000000001 113.319 -173.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 49' ' ' LYS . 21.1 p -66.6 -38.18 86.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.05 0.389 . . . . 1.23 112.05 -173.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.3 ptmt -97.73 -22.9 16.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.422 0.897 . . . . 1.6100000000000001 113.422 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 42.0 tp10 -102.93 -35.49 8.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.84 0.352 . . . . 1.6699999999999999 111.033 -170.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD22 ' CD1' ' B' ' 8' ' ' LEU . 35.1 mt -120.0 30.25 7.11 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.574 0.702 . . . . 1.4199999999999999 109.396 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.06 -36.37 50.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.387 -1.279 . . . . 0.78000000000000003 113.44 -174.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.61 33.91 5.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.443 0.64 . . . . 2.1600000000000001 110.626 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.541 HG21 HD12 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -113.58 -61.65 1.71 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.747 0.784 . . . . 0.66000000000000003 109.581 175.353 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.562 HG21 HD11 ' A' ' 57' ' ' ILE . 23.4 mt -85.72 137.54 20.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.492 -1.231 . . . . 0.59999999999999998 109.73 -175.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.31 126.08 23.48 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.545 0.212 . . . . 1.6100000000000001 110.44 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.492 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 43.26 44.33 4.52 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.506 -0.77 . . . . 1.48 112.187 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.561 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -62.01 -6.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.924 0.868 . . . . 0.55000000000000004 110.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.7 OUTLIER -84.53 -10.64 57.25 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.201 -0.909 . . . . 1.1100000000000001 110.173 179.575 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.1 m-20 -90.85 128.7 36.83 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.615 -0.72 . . . . 1.5800000000000001 111.206 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.05 -29.58 70.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.929 -1.032 . . . . 0.92000000000000004 110.226 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.37 -36.69 83.52 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.581 -0.736 . . . . 0.67000000000000004 109.165 177.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 32.1 t -74.71 -43.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.523 -1.217 . . . . 0.59999999999999998 109.673 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 50' ' ' ASP . 29.3 mt -65.2 -36.7 78.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 114.911 -1.04 . . . . 0.41999999999999998 110.873 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 34.3 t70 -64.32 -49.89 69.97 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.557 -0.747 . . . . 1.53 109.333 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.4 mm-40 -47.3 -47.13 25.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.882 -1.054 . . . . 1.77 111.048 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.562 HD11 HG21 ' A' ' 45' ' ' ILE . 86.8 mt -70.09 -53.87 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.397 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 17.2 t80 -55.39 -47.65 75.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.6799999999999999 110.235 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 60.5 mm-40 -60.93 -31.05 70.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 1.9199999999999999 109.987 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.49 -25.6 75.34 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.737 -0.665 . . . . 0.53000000000000003 112.287 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -88.2 -50.43 6.37 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.727 -0.842 . . . . 0.57999999999999996 108.727 177.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.56 73.92 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.625 -1.17 . . . . 1.3999999999999999 110.83 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.03 -16.67 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.464 -0.789 . . . . 1.3 109.582 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -73.54 -18.69 61.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.989 -1.005 . . . . 2.7999999999999998 110.298 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 61.42 37.96 16.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.754 -1.112 . . . . 2.7200000000000002 111.444 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -109.92 -3.04 16.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.54 0.686 . . . . 2.1299999999999999 109.893 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 61.64 47.38 6.45 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.721 -1.127 . . . . 2.02 110.133 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 9.7 pt20 -142.82 118.73 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.671 -0.695 . . . . 2.1600000000000001 110.084 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.06 106.52 12.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.39 0.614 . . . . 1.8100000000000001 110.404 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.512 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 4.9 m-20 -77.64 174.52 10.83 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.318 -0.623 . . . . 2.02 109.318 172.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -62.65 -32.22 73.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.386 -0.526 . . . . 2.1699999999999999 110.012 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.519 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.3 tt0 -69.92 -40.9 75.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 1.6599999999999999 110.895 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 70' ' ' ASP . 3.9 mm-40 -68.85 -33.95 74.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.563 0.697 . . . . 1.99 109.343 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 78' ' ' VAL . 70.9 t80 -69.8 -24.08 63.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.542 -0.754 . . . . 1.9199999999999999 109.933 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.569 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.2 mt -67.86 -42.17 85.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.751 -0.659 . . . . 0.67000000000000004 109.679 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.3 -28.61 66.41 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.105 -0.498 . . . . 0.73999999999999999 110.394 174.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.539 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.1 tm? -58.74 -45.63 89.25 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.724 -0.472 . . . . 1.1499999999999999 109.724 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.0 t -66.28 -32.0 56.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.927 -0.579 . . . . 0.33000000000000002 110.073 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.52 98.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.394 0.616 . . . . 0.42999999999999999 109.912 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.87 -45.59 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.119 -0.946 . . . . 0.40000000000000002 110.237 174.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.63 -22.91 50.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 0.28000000000000003 112.31 -173.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 62.6 mt -67.7 -39.94 84.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.336 0.589 . . . . 0.33000000000000002 109.594 173.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 9.4 mttt -75.53 -19.85 59.08 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.764 -0.653 . . . . 1.6699999999999999 110.541 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -68.9 -24.88 64.36 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.864 -0.421 . . . . 0.47999999999999998 109.864 169.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.44 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -84.18 -55.13 4.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 0.56999999999999995 111.391 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -75.78 -56.12 4.98 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.16 0.505 . . . . 2.6800000000000002 111.313 -178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.518 ' HB2' ' HG2' ' A' ' 83' ' ' LYS . 2.7 t80 -83.51 22.32 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 1.8 109.956 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -45.87 -2.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.007 1.323 . . . . 3.2599999999999998 113.806 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 87' ' ' TYR . 8.6 t -69.89 -30.04 67.39 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.512 -0.922 . . . . 1.26 108.512 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.514 -0.424 0 C-N-CA 125.37 1.468 . . . . 3.4700000000000002 108.449 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.333 0.587 . . . . 3.1000000000000001 111.172 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.7 -18.28 65.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.312 -0.858 . . . . 2.5099999999999998 109.671 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.554 ' O ' HG13 ' B' ' 11' ' ' ILE . 55.9 m-70 -62.91 -57.9 9.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.817 -0.808 . . . . 2.1600000000000001 108.817 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.666 HD13 ' HB1' ' A' ' 81' ' ' ALA . 31.0 mt -74.34 -56.09 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.8 -1.091 . . . . 0.34000000000000002 111.222 -175.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.1 -22.18 66.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.858 0.361 . . . . 2.4100000000000001 110.629 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.24 -40.75 55.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.987 -0.625 . . . . 0.44 111.764 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 7' ' ' HIS . 76.3 mt -69.25 -38.07 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.472 0.653 . . . . 1.1599999999999999 109.992 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.44 HG21 ' HB3' ' A' ' 85' ' ' ALA . 73.6 t -66.7 -35.92 75.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.693 -0.685 . . . . 0.56999999999999995 110.575 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -71.62 -40.79 69.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 1.4199999999999999 111.267 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 pt -66.88 -28.94 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.217 -0.593 . . . . 2.0600000000000001 110.516 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.6 -35.29 78.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.185 -0.672 . . . . 2.5800000000000001 109.185 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -67.07 -21.38 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.642 -0.708 . . . . 2.23 110.722 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.383 -0.371 . . . . 2.77 111.307 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' OE1' ' B' ' 32' ' ' GLU . 91.1 mt . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 112.587 0.588 . . . . 2.9100000000000001 112.587 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.9 m -95.35 -171.31 2.36 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.218 0.821 . . . . 1.3500000000000001 113.218 -166.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.501 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 10.5 ttmm -47.05 -38.06 10.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.744 1.016 . . . . 1.3200000000000001 113.744 -172.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.67 4.78 Favored Glycine 0 N--CA 1.466 0.648 0 N-CA-C 114.877 0.711 . . . . 0.40000000000000002 114.877 -172.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.486 ' OE1' ' HB2' ' B' ' 28' ' ' LEU . 2.7 pt-20 -65.36 -36.35 83.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.493 0.553 . . . . 2.4300000000000002 112.493 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.57 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 18.0 tp -65.76 -45.22 83.37 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.817 -0.808 . . . . 0.52000000000000002 108.817 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.401 ' HG2' ' CD1' ' B' ' 54' ' ' ILE . 13.1 tmtt? -57.59 -44.63 85.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.654 -1.157 . . . . 1.8700000000000001 110.578 178.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 36.2 tt0 -55.23 -59.09 5.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.018 -0.537 . . . . 2.4500000000000002 110.105 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' B' ' 40' ' ' GLU . 9.8 tt -49.39 -60.65 2.65 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 123.656 0.598 . . . . 0.45000000000000001 110.17 178.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.2 mt -53.06 -47.72 68.23 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 113.389 0.885 . . . . 0.45000000000000001 113.389 -173.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.45 HG22 ' HA ' ' B' ' 49' ' ' LYS . 20.2 p -66.58 -38.32 86.8 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 1.23 112.062 -173.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.2 ptmt -97.52 -23.19 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.295 0.85 . . . . 1.6200000000000001 113.295 -176.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' B' ' 36' ' ' LEU . 41.4 tp10 -102.6 -35.42 8.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.736 0.303 . . . . 1.6699999999999999 111.04 -170.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 8' ' ' LEU . 35.4 mt -120.1 30.32 7.06 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.495 0.665 . . . . 1.4199999999999999 109.4 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.32 -35.86 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.376 -1.284 . . . . 0.78000000000000003 113.544 -174.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.92 34.11 5.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.392 0.615 . . . . 2.1600000000000001 110.597 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.527 HG21 HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -113.75 -61.83 1.68 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.728 0.775 . . . . 0.66000000000000003 109.628 175.294 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 23.6 mt -85.71 137.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.408 -1.269 . . . . 0.59999999999999998 109.773 -175.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.484 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -55.2 126.29 24.2 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.129 0.268 . . . . 1.6100000000000001 110.484 -178.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.484 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.7 m-20 42.88 44.55 3.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 124.028 0.83 . . . . 1.48 112.22 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -62.13 -6.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.922 0.868 . . . . 0.56000000000000005 110.84 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.45 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.29 -10.82 57.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.148 -0.933 . . . . 1.1100000000000001 110.136 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.492 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.1 m-20 -90.9 128.81 36.9 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.684 -0.689 . . . . 1.5900000000000001 111.104 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.14 -29.48 70.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.982 -1.008 . . . . 0.92000000000000004 110.135 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.72 -36.15 81.79 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.592 -0.731 . . . . 0.67000000000000004 109.209 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.408 HG11 ' O ' ' B' ' 46' ' ' LYS . 32.0 t -75.14 -43.54 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.54 -1.209 . . . . 0.59999999999999998 109.652 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 50' ' ' ASP . 29.9 mt -65.42 -36.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 0.41999999999999998 110.861 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 35.9 t70 -64.42 -49.84 69.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.601 -0.727 . . . . 1.53 109.347 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 15.9 mm-40 -47.54 -46.78 28.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.919 -1.037 . . . . 1.77 111.114 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.555 HD11 HG21 ' B' ' 45' ' ' ILE . 86.6 mt -70.37 -53.72 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.378 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 16.9 t80 -55.6 -47.34 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 1.6699999999999999 110.283 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 60.5 mm-40 -61.09 -31.21 70.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 1.9099999999999999 109.927 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.06 -26.21 74.85 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.627 -0.715 . . . . 0.53000000000000003 112.159 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.6 OUTLIER -87.8 -50.8 6.23 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.744 -0.836 . . . . 0.58999999999999997 108.744 177.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.46 74.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.7 -1.136 . . . . 1.3999999999999999 110.82 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.32 -16.56 59.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.474 -0.785 . . . . 1.3100000000000001 109.513 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.42 -18.45 61.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.985 -1.007 . . . . 2.7999999999999998 110.3 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.84 38.7 17.75 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.787 -1.097 . . . . 2.7200000000000002 111.446 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -110.52 -2.91 16.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.447 0.642 . . . . 2.1400000000000001 109.938 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 61.22 47.56 6.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 114.716 -1.129 . . . . 2.0099999999999998 110.236 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 9.7 pt20 -142.94 118.63 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.617 -0.72 . . . . 2.1600000000000001 110.136 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.27 106.53 12.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.551 0.691 . . . . 1.8100000000000001 110.504 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' B' ' 73' ' ' GLU . 5.3 m-20 -77.61 174.46 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.248 -0.649 . . . . 2.02 109.248 172.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -62.74 -32.3 73.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.446 -0.501 . . . . 2.1800000000000002 110.007 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.5 tt0 -69.62 -41.08 76.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.574 . . . . 1.6699999999999999 111.104 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' B' ' 70' ' ' ASP . 3.9 mm-40 -68.86 -33.78 74.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.642 0.734 . . . . 1.99 109.372 177.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.5 t80 -69.76 -24.1 63.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.644 -0.707 . . . . 1.9199999999999999 110.043 174.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.2 mt -67.94 -42.02 85.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 0.67000000000000004 109.681 176.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.626 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.1 p -69.28 -28.68 66.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.151 -0.477 . . . . 0.73999999999999999 110.345 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.543 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.1 tm? -58.86 -45.52 89.93 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.719 -0.474 . . . . 1.1399999999999999 109.719 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.555 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 40.1 t -66.16 -32.37 57.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.966 -0.561 . . . . 0.33000000000000002 110.03 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.68 98.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.499 0.666 . . . . 0.42999999999999999 109.977 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.69 -45.62 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.119 -0.946 . . . . 0.40000000000000002 110.22 174.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.678 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.84 -22.7 49.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.568 -0.742 . . . . 0.28000000000000003 112.353 -173.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 63.5 mt -67.89 -39.87 83.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 0.33000000000000002 109.624 173.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 9.3 mttt -75.47 -19.93 59.11 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.705 -0.68 . . . . 1.6699999999999999 110.429 174.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -69.02 -24.78 64.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.021 0.438 . . . . 0.47999999999999998 109.834 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -84.16 -55.2 4.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.56999999999999995 111.305 175.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -75.84 -55.92 5.17 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.298 0.571 . . . . 2.6800000000000002 111.314 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.505 ' HB2' ' HG2' ' B' ' 83' ' ' LYS . 2.7 t80 -83.59 22.34 1.09 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.64 -0.709 . . . . 1.8 109.905 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -45.76 -3.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.0 1.32 . . . . 3.27 113.779 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.497 ' H ' ' C ' ' B' ' 87' ' ' TYR . 8.7 t -69.98 -29.82 67.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.619 -0.882 . . . . 1.27 108.619 177.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.514 -0.412 0 C-N-CA 125.427 1.491 . . . . 3.4700000000000002 108.568 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.441 0.639 . . . . 3.1000000000000001 109.772 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.89 -20.35 56.75 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.037 -0.983 . . . . 2.5099999999999998 110.218 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.559 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 81.6 m-70 -72.81 -43.07 63.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.851 -0.425 . . . . 2.1600000000000001 109.851 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.86 HD13 ' HB1' ' B' ' 81' ' ' ALA . 83.9 mt -68.41 -60.78 2.19 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.93 0.395 . . . . 0.34000000000000002 110.753 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.16 -22.64 66.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 2.4100000000000001 110.65 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.616 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -71.73 -38.27 61.05 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.638 -0.71 . . . . 0.44 112.181 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' HIS . 71.9 mt -66.8 -38.68 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.075 -0.713 . . . . 1.1599999999999999 109.075 174.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.94 -33.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.915 -1.039 . . . . 0.56999999999999995 110.22 172.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.28 -34.89 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 1.4199999999999999 111.074 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 10' ' ' GLY . 22.8 mt -68.11 -38.71 80.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.235 0.54 . . . . 2.0600000000000001 109.551 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -59.03 -47.64 84.48 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.724 -0.843 . . . . 2.5699999999999998 108.724 171.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.13 -23.84 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.774 -1.103 . . . . 2.23 110.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? . . . . . 0 N--CA 1.454 -0.25 0 CA-C-N 116.441 -0.345 . . . . 2.77 110.622 -179.891 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 121.509 0.671 . . . . 2.9100000000000001 111.361 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -81.15 -170.52 2.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.522 -0.763 . . . . 1.3500000000000001 111.441 -176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HD2' ' CE ' ' A' ' 51' ' ' LYS . 16.7 ttmt -54.24 -31.96 54.72 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.559 -0.291 . . . . 1.3200000000000001 111.729 -172.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.567 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -57.7 -45.03 93.81 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.198 -0.525 . . . . 0.40000000000000002 113.148 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -67.92 -44.03 77.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.399 0.619 . . . . 2.4399999999999999 110.155 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.1 tp -64.43 -43.02 95.63 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.101 -0.954 . . . . 0.52000000000000002 110.004 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 1.5 pptp? -64.73 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 1.8700000000000001 110.329 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.714 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 38.5 mt-30 -61.55 -63.78 1.16 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.468 -0.567 . . . . 2.46 109.468 172.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' CD1' HG22 ' A' ' 14' ' ' ILE . 9.9 tt -48.77 -48.25 41.12 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.91 0.756 . . . . 0.45000000000000001 110.745 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.2 mt -63.77 -53.37 52.08 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.097 0.777 . . . . 0.45000000000000001 113.097 -174.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 49' ' ' LYS . 36.3 p -66.28 -32.56 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.951 0.352 . . . . 1.23 111.951 -173.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.9 ptmm? -96.29 -35.54 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 1.6100000000000001 112.673 -175.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -95.79 -43.56 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.125 0.488 . . . . 1.6699999999999999 110.907 -171.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD22 HD11 ' B' ' 8' ' ' LEU . 13.6 mt -105.41 26.56 9.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 1.4199999999999999 109.659 -174.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.76 -38.87 23.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 114.528 -1.214 . . . . 0.78000000000000003 113.411 -175.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -115.23 18.83 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.495 -0.482 . . . . 2.1600000000000001 111.326 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.414 HG21 ' CD1' ' B' ' 8' ' ' LEU . 1.6 m -103.2 -54.23 2.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.434 0.635 . . . . 0.66000000000000003 110.1 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 57' ' ' ILE . 54.0 mt -92.11 143.85 10.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.185 -0.916 . . . . 0.59999999999999998 109.814 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -60.68 123.78 18.46 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.183 -0.302 . . . . 1.6100000000000001 110.183 -176.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.488 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 42.85 45.06 4.14 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.518 -0.765 . . . . 1.48 111.859 177.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.0 tp -60.6 -4.99 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 0.55000000000000004 111.257 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.517 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.1 OUTLIER -82.95 -16.93 45.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.194 -0.912 . . . . 1.1100000000000001 110.084 -179.458 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' HG13 ' A' ' 54' ' ' ILE . 7.3 m-20 -84.83 128.52 34.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.335 -0.848 . . . . 1.5800000000000001 111.366 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.546 ' CE ' ' HD2' ' A' ' 30' ' ' LYS . 23.0 tptm -63.48 -25.55 68.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.162 -0.926 . . . . 0.92000000000000004 110.247 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.7 -37.32 73.57 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.409 0.623 . . . . 0.67000000000000004 109.322 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG22 ' HE3' ' A' ' 46' ' ' LYS . 26.2 t -71.82 -43.24 69.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.823 -1.08 . . . . 0.59999999999999998 109.077 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 34' ' ' LYS . 54.0 mt -64.57 -35.84 75.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 114.719 -1.128 . . . . 0.41999999999999998 111.356 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.6 t70 -63.84 -51.65 63.7 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.902 -0.777 . . . . 1.53 108.902 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.9 mm-40 -48.87 -44.31 39.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.613 -1.176 . . . . 1.77 111.345 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 72.7 mt -70.99 -57.65 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.412 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 80.2 t80 -52.93 -47.15 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 1.6799999999999999 110.788 -178.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 15.9 mm100 -66.79 -26.88 67.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.5 -0.773 . . . . 1.9199999999999999 110.454 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.68 -32.07 54.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.014 -0.613 . . . . 0.53000000000000003 112.701 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -82.67 -40.23 20.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.19 -0.671 . . . . 0.57999999999999996 109.19 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -76.24 73.01 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.199 -0.91 . . . . 1.3999999999999999 110.746 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.21 62.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.218 -0.901 . . . . 1.3 109.891 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -20.21 56.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.038 -0.983 . . . . 2.7999999999999998 110.295 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.35 35.55 20.61 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.852 -1.067 . . . . 2.7200000000000002 110.863 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -119.72 8.58 11.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 2.1299999999999999 111.231 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 40.7 tt0 64.9 49.11 2.21 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.424 0.631 . . . . 2.02 110.41 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.37 119.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.137 0.494 . . . . 2.1600000000000001 111.824 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -88.63 107.45 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.06 -0.518 . . . . 1.8100000000000001 110.631 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.506 ' H ' ' CG ' ' A' ' 73' ' ' GLU . 6.3 t70 -94.71 -173.61 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.145 -1.057 . . . . 2.02 108.145 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -61.75 -42.49 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.196 0.453 . . . . 2.1699999999999999 111.592 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -70.79 -40.91 72.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.355 0.598 . . . . 1.6599999999999999 110.383 -178.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.6 mm-40 -60.99 -39.59 90.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.475 -0.935 . . . . 1.99 108.475 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 78' ' ' VAL . 63.3 t80 -67.72 -28.58 67.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.42 -0.809 . . . . 1.9199999999999999 110.58 175.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.571 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.8 OUTLIER -65.85 -37.2 79.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.623 -0.717 . . . . 0.67000000000000004 109.235 176.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' HD13 ' A' ' 80' ' ' ILE . 29.1 m -63.0 -39.89 96.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.361 -0.836 . . . . 0.73999999999999999 109.304 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD23 HG21 ' A' ' 57' ' ' ILE . 1.9 tm? -58.89 -43.36 90.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 1.1499999999999999 110.158 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -66.16 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.935 -0.394 . . . . 0.33000000000000002 109.935 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.89 -50.42 73.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.264 0.554 . . . . 0.42999999999999999 109.78 173.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -41.05 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.154 -0.93 . . . . 0.40000000000000002 110.477 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.843 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -72.29 -42.52 65.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.368 -0.833 . . . . 0.28000000000000003 112.361 -174.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 83.5 mt -68.34 -39.07 82.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.105 0.479 . . . . 0.33000000000000002 109.844 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.1 OUTLIER -56.24 -56.22 23.63 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.353 -0.84 . . . . 1.6699999999999999 109.64 172.245 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -63.29 -20.87 65.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.25 0.463 . . . . 0.47999999999999998 112.25 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -69.98 -60.37 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.723 0.268 . . . . 0.56999999999999995 111.723 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.438 ' C ' ' H ' ' A' ' 88' ' ' HIS . 42.9 t-80 -86.39 -39.18 16.65 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.431 0.634 . . . . 2.6800000000000002 110.964 -178.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.493 ' C ' ' H ' ' A' ' 89' ' ' THR . 15.3 t80 -84.13 23.25 1.08 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.885 0.874 . . . . 1.8 109.164 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 46.0 t60 -49.79 19.47 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.261 1.824 . . . . 3.2599999999999998 115.291 -176.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 87' ' ' TYR . 2.1 t -66.39 -35.09 79.45 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.13 -1.063 . . . . 1.26 108.13 172.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 . . . . . 0 N--CA 1.462 0.174 0 CA-C-N 114.448 -1.251 . . . . 3.4700000000000002 109.3 174.163 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.477 0.656 . . . . 3.1000000000000001 109.953 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.88 -20.57 57.94 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.977 -1.01 . . . . 2.5099999999999998 110.166 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.565 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 81.9 m-70 -72.73 -43.05 63.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.823 -0.436 . . . . 2.1600000000000001 109.823 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.843 HD13 ' HB1' ' A' ' 81' ' ' ALA . 83.1 mt -68.36 -60.81 2.18 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.34000000000000002 110.868 177.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.21 -22.55 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.94 -0.573 . . . . 2.4100000000000001 110.536 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.618 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -71.68 -38.41 61.22 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.44 112.224 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' ' 7' ' ' HIS . 72.0 mt -66.79 -38.68 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.04 -0.726 . . . . 1.1599999999999999 109.04 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.95 -33.54 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.976 -1.011 . . . . 0.56999999999999995 110.182 172.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -71.29 -34.79 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 1.4199999999999999 110.97 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 10' ' ' GLY . 23.1 mt -68.15 -38.7 80.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 109.574 -0.528 . . . . 2.0600000000000001 109.574 177.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.09 -47.81 83.91 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.654 -0.869 . . . . 2.5800000000000001 108.654 171.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -58.92 -23.86 61.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.852 -1.067 . . . . 2.23 110.884 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 2.77 110.599 -179.825 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.455 0.645 . . . . 2.9100000000000001 111.455 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -81.12 -170.72 2.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.563 -0.744 . . . . 1.3500000000000001 111.475 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.542 ' HD2' ' CE ' ' B' ' 51' ' ' LYS . 16.6 ttmt -53.83 -31.93 51.05 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 111.854 0.316 . . . . 1.3200000000000001 111.854 -172.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.555 ' O ' ' HG3' ' B' ' 34' ' ' LYS . . . -58.06 -44.61 94.59 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 121.116 -0.564 . . . . 0.40000000000000002 113.283 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -67.96 -44.09 77.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.371 0.605 . . . . 2.4300000000000002 110.156 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.9 tp -64.41 -43.1 95.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.117 -0.947 . . . . 0.52000000000000002 110.059 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' B' ' 31' ' ' GLY . 1.6 pptp? -64.68 -31.03 72.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.068 -0.514 . . . . 1.8700000000000001 110.329 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.703 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 39.1 mt-30 -61.74 -63.65 1.19 Allowed 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.579 -0.526 . . . . 2.4500000000000002 109.579 172.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.412 ' CD1' HG22 ' B' ' 14' ' ' ILE . 9.8 tt -48.92 -48.13 42.92 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 123.942 0.776 . . . . 0.45000000000000001 110.735 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.0 mt -63.79 -53.3 53.0 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.113 0.783 . . . . 0.45000000000000001 113.113 -174.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.516 HG22 ' HA ' ' B' ' 49' ' ' LYS . 36.7 p -66.12 -32.91 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.933 0.345 . . . . 1.23 111.933 -173.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.703 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.9 ptmm? -96.41 -35.13 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.789 0.663 . . . . 1.6200000000000001 112.789 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.406 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 10.2 mm-40 -95.81 -43.68 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.178 0.513 . . . . 1.6699999999999999 110.92 -171.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 8' ' ' LEU . 13.6 mt -105.3 26.77 8.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.256 0.551 . . . . 1.4199999999999999 109.695 -174.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.76 -39.52 25.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 114.621 -1.172 . . . . 0.78000000000000003 113.308 -175.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -114.42 18.76 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.501 -0.48 . . . . 2.1600000000000001 111.45 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.46 HG21 ' CD1' ' A' ' 8' ' ' LEU . 1.6 m -103.3 -54.32 2.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.48 0.657 . . . . 0.66000000000000003 110.144 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.501 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.0 mt -92.06 144.04 10.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.088 -0.96 . . . . 0.59999999999999998 109.788 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -60.95 123.89 18.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.193 -0.299 . . . . 1.6100000000000001 110.193 -176.166 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.492 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 42.79 45.11 4.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.515 -0.766 . . . . 1.48 111.93 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' B' ' 42' ' ' ALA . 8.1 tp -60.57 -5.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.824 0.821 . . . . 0.56000000000000005 111.265 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.516 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.1 OUTLIER -83.07 -16.79 45.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.224 -0.898 . . . . 1.1100000000000001 109.992 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.43 ' O ' HG13 ' B' ' 54' ' ' ILE . 7.2 m-20 -84.78 128.42 34.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.312 -0.858 . . . . 1.5900000000000001 111.383 -178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.542 ' CE ' ' HD2' ' B' ' 30' ' ' LYS . 23.0 tptm -63.47 -25.73 68.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.107 -0.951 . . . . 0.92000000000000004 110.144 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.48 -37.57 74.25 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.488 0.661 . . . . 0.67000000000000004 109.293 175.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.445 HG22 ' HE3' ' B' ' 46' ' ' LYS . 25.7 t -71.53 -43.22 72.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 114.87 -1.059 . . . . 0.59999999999999998 109.163 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 50' ' ' ASP . 54.1 mt -64.63 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.639 -1.164 . . . . 0.41999999999999998 111.302 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 13.7 t70 -63.92 -51.71 63.22 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.709 -0.848 . . . . 1.53 108.709 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 19.5 mm-40 -49.19 -43.93 42.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.622 -1.172 . . . . 1.77 111.387 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 73.1 mt -70.98 -57.78 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.458 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 80.1 t80 -52.77 -47.16 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.939 -0.573 . . . . 1.6699999999999999 110.89 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.4 mm100 -66.91 -26.79 67.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.468 -0.787 . . . . 1.9099999999999999 110.48 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.34 -32.77 54.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 0.53000000000000003 112.643 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.8 OUTLIER -82.22 -40.59 21.44 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.242 -0.651 . . . . 0.58999999999999997 109.242 -179.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -75.99 73.07 2.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.11 -0.95 . . . . 1.3999999999999999 110.716 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.97 -16.32 62.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.088 -0.96 . . . . 1.3100000000000001 109.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.64 -20.53 56.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.14 -0.937 . . . . 2.7999999999999998 110.143 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.9 35.45 19.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 114.978 -1.01 . . . . 2.7200000000000002 110.788 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -119.56 8.5 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 2.1400000000000001 111.43 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.407 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 40.9 tt0 64.91 49.22 2.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 2.0099999999999998 110.419 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.53 119.76 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 2.1600000000000001 111.884 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.59 107.5 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.084 -0.507 . . . . 1.8100000000000001 110.672 170.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.512 ' H ' ' CG ' ' B' ' 73' ' ' GLU . 6.1 t70 -94.8 -173.51 3.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.171 -1.048 . . . . 2.02 108.171 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -61.74 -42.5 99.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.203 0.456 . . . . 2.1800000000000002 111.659 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.436 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 0.9 OUTLIER -70.74 -40.88 72.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.405 0.621 . . . . 1.6699999999999999 110.332 -178.094 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.6 mm-40 -61.05 -39.47 89.97 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.408 -0.96 . . . . 1.99 108.408 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.555 ' O ' HG23 ' B' ' 78' ' ' VAL . 63.1 t80 -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.372 -0.831 . . . . 1.9199999999999999 110.501 176.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.8 OUTLIER -65.62 -37.61 80.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 0.67000000000000004 109.174 176.049 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.55 ' O ' HD13 ' B' ' 80' ' ' ILE . 20.2 m -62.47 -40.17 95.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.345 -0.843 . . . . 0.73999999999999999 109.184 174.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.551 HD23 HG21 ' B' ' 57' ' ' ILE . 1.9 tm? -58.99 -43.29 91.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 1.1399999999999999 110.148 177.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.3 t -66.21 -31.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.002 -0.37 . . . . 0.33000000000000002 110.002 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.87 -50.27 74.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.288 0.566 . . . . 0.42999999999999999 109.791 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.55 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.72 -41.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.237 -0.892 . . . . 0.40000000000000002 110.418 175.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.86 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -72.23 -42.48 65.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.275 -0.875 . . . . 0.28000000000000003 112.421 -174.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 83.6 mt -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.236 0.541 . . . . 0.33000000000000002 109.852 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -56.2 -56.26 23.08 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.291 -0.868 . . . . 1.6699999999999999 109.628 172.21 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -63.24 -20.95 65.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.317 0.488 . . . . 0.47999999999999998 112.317 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -69.8 -60.36 2.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.727 0.269 . . . . 0.56999999999999995 111.727 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' B' ' 88' ' ' HIS . 42.4 t-80 -86.59 -38.85 16.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.23 0.538 . . . . 2.6800000000000002 110.95 -178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.485 ' C ' ' H ' ' B' ' 89' ' ' THR . 15.2 t80 -84.55 23.6 1.11 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.809 0.844 . . . . 1.8 109.076 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 48.0 t60 -50.07 19.01 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.274 1.83 . . . . 3.27 115.259 -175.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.485 ' H ' ' C ' ' B' ' 87' ' ' TYR . 2.0 t -66.26 -34.9 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.084 -1.08 . . . . 1.27 108.084 173.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 . . . . . 0 N--CA 1.461 0.12 0 CA-C-N 114.465 -1.243 . . . . 3.4700000000000002 109.403 174.057 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.514 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.9 pt-20 . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 114.726 1.38 . . . . 3.1000000000000001 114.726 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -34.68 78.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.545 0.688 . . . . 2.5099999999999998 109.747 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.499 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 26.9 m-70 -82.83 -39.67 21.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.595 -0.73 . . . . 2.1600000000000001 111.577 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.785 HD13 ' HB1' ' B' ' 81' ' ' ALA . 79.0 mt -63.15 -61.01 2.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.373 0.606 . . . . 0.34000000000000002 110.543 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.78 -25.53 65.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.169 -0.923 . . . . 2.4100000000000001 109.896 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -70.46 -42.17 65.0 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.571 -0.74 . . . . 0.44 112.708 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 7' ' ' HIS . 62.9 mt -64.45 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 117.573 0.686 . . . . 1.1599999999999999 109.253 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.85 -37.14 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.062 -0.972 . . . . 0.56999999999999995 110.408 174.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.3 t30 -69.36 -41.73 76.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 1.4199999999999999 110.657 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.95 -43.38 92.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.378 -0.374 . . . . 2.0600000000000001 110.248 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.94 99.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.64 -0.504 . . . . 2.5699999999999998 109.64 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -58.17 -37.85 75.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.753 0.311 . . . . 2.23 111.021 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 16.0 mm100 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 2.77 111.278 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' HB3' ' H ' ' A' ' 29' ' ' SER . 68.5 mt . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.289 0.566 . . . . 2.9100000000000001 112.269 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.403 ' H ' ' HB3' ' A' ' 28' ' ' LEU . 15.7 m -84.24 -170.52 3.13 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.287 0.847 . . . . 1.3500000000000001 113.287 -168.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.532 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 8.6 ttpp -56.23 -20.02 16.43 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.092 -0.958 . . . . 1.3200000000000001 113.26 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 34' ' ' LYS . . . -54.42 -55.36 27.21 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.36 -0.448 . . . . 0.40000000000000002 114.024 -176.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 32' ' ' GLU . 4.2 pt-20 -74.08 -29.61 61.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.798 0.332 . . . . 2.4399999999999999 111.509 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.7 tp -60.14 -52.79 63.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.962 -0.755 . . . . 0.52000000000000002 108.962 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 29.0 ttmt -48.42 -48.37 37.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.591 -1.186 . . . . 1.8700000000000001 110.954 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 45.8 mt-30 -55.74 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 2.46 110.667 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -49.64 -47.31 49.94 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.301 0.572 . . . . 0.45000000000000001 110.556 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -63.85 -52.42 60.16 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.885 -0.598 . . . . 0.45000000000000001 112.381 -175.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.5 p -64.34 -35.41 80.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.431 -0.35 . . . . 1.23 111.75 -174.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.8 ptmt -97.4 -26.67 14.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.385 0.883 . . . . 1.6100000000000001 113.385 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 63.3 mm-40 -99.04 -41.83 7.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.18 0.514 . . . . 1.6699999999999999 111.079 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.513 HD22 HD11 ' B' ' 8' ' ' LEU . 15.6 mt -107.97 24.59 12.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.291 0.567 . . . . 1.4199999999999999 109.928 -174.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -46.29 -39.98 10.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.255 -1.339 . . . . 0.78000000000000003 113.831 -176.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -117.83 28.6 8.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.276 0.56 . . . . 2.1600000000000001 110.773 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.6 m -112.52 -60.69 1.83 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.46 0.647 . . . . 0.66000000000000003 110.146 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.488 HG21 HD11 ' A' ' 57' ' ' ILE . 49.3 mt -86.3 138.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.032 -0.986 . . . . 0.59999999999999998 109.54 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -54.96 123.06 12.29 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.657 0.265 . . . . 1.6100000000000001 110.656 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.515 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.2 m120 44.94 44.9 8.38 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.236 -0.893 . . . . 1.48 111.745 177.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.8 tp -61.16 -10.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 0.55000000000000004 110.875 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.7 mmmm -84.3 -10.87 57.27 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.27 -0.877 . . . . 1.1100000000000001 110.215 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.9 m-20 -91.92 129.44 37.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.541 -0.754 . . . . 1.5800000000000001 111.25 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.75 -31.21 71.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.553 -1.203 . . . . 0.92000000000000004 111.132 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.08 78.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.169 -0.678 . . . . 0.67000000000000004 109.169 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 57' ' ' ILE . 26.7 t -72.34 -47.32 53.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.708 -1.133 . . . . 0.59999999999999998 109.682 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 50' ' ' ASP . 38.8 mt -60.49 -37.92 76.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.375 -0.829 . . . . 0.41999999999999998 111.501 177.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.83 -54.87 36.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.323 -0.621 . . . . 1.53 109.323 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -46.49 -44.23 17.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.137 -0.938 . . . . 1.77 111.389 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.652 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 66.6 mt -70.59 -60.12 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.608 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CG ' ' HB2' ' A' ' 30' ' ' LYS . 83.4 t80 -55.47 -46.43 76.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.904 0.383 . . . . 1.6799999999999999 110.955 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.428 ' OE1' ' HA ' ' A' ' 59' ' ' GLN . 13.7 mm-40 -64.32 -25.11 67.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 1.9199999999999999 110.504 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.78 -29.72 46.48 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.827 -0.701 . . . . 0.53000000000000003 112.777 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 2.9 mt -84.95 -39.65 17.89 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.115 0.458 . . . . 0.57999999999999996 110.033 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.43 67.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.403 -0.817 . . . . 1.3999999999999999 110.552 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.23 -19.58 46.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.344 -0.844 . . . . 1.3 109.697 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -72.34 -20.07 61.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.374 -0.83 . . . . 2.7999999999999998 109.845 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 62.8 36.81 12.85 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.761 -1.109 . . . . 2.7200000000000002 112.664 172.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.19 9.84 11.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.719 0.295 . . . . 2.1299999999999999 110.979 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 63.97 51.62 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.759 . . . . 2.02 109.894 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -149.26 118.32 6.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.603 -0.726 . . . . 2.1600000000000001 110.582 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 p -80.9 107.45 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.656 0.741 . . . . 1.8100000000000001 110.367 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' HB3' ' HG2' ' A' ' 73' ' ' GLU . 24.1 t70 -85.69 174.97 9.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.592 -0.731 . . . . 2.02 109.163 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -59.03 -34.54 72.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.308 0.504 . . . . 2.1699999999999999 109.965 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 21.2 tt0 -68.34 -43.06 78.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 1.6599999999999999 111.029 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.5 mm-40 -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.803 0.811 . . . . 1.99 109.333 178.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 78' ' ' VAL . 69.9 t80 -74.52 -20.61 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.575 . . . . 1.9199999999999999 109.795 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -68.43 -40.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.625 -0.716 . . . . 0.67000000000000004 109.674 177.645 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.586 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.6 p -70.4 -29.28 65.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.985 -0.552 . . . . 0.73999999999999999 109.765 173.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.5 tm? -59.23 -46.81 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.789 -0.449 . . . . 1.1499999999999999 109.789 173.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.7 t -64.09 -29.65 47.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.33000000000000002 109.623 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.6 -51.48 68.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.187 0.518 . . . . 0.42999999999999999 109.997 174.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -55.24 -41.37 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.299 -0.864 . . . . 0.40000000000000002 110.41 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.68 -33.44 58.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.436 -0.802 . . . . 0.28000000000000003 112.588 -174.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 93.7 mt -73.76 -35.2 64.97 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 0.33000000000000002 109.856 176.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.2 OUTLIER -62.63 -49.74 73.97 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.462 -0.79 . . . . 1.6699999999999999 109.253 170.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -62.56 -22.21 66.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.563 . . . . 0.47999999999999998 112.135 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.03 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.672 0.249 . . . . 0.56999999999999995 111.672 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.59 -42.08 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.472 0.653 . . . . 2.6800000000000002 110.661 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' THR . 8.2 t80 -90.19 23.87 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.107 -0.951 . . . . 1.8 109.385 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -46.32 19.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.721 2.119 . . . . 3.2599999999999998 116.721 -175.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' TYR . 2.5 t -71.89 -45.33 61.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.57 -0.9 . . . . 1.26 108.57 173.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 123.641 0.777 . . . . 3.4700000000000002 109.796 176.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.497 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.8 pt-20 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 114.626 1.343 . . . . 3.1000000000000001 114.626 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.448 0.642 . . . . 2.5099999999999998 109.753 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.507 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 27.0 m-70 -82.84 -39.93 21.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.535 -0.757 . . . . 2.1600000000000001 111.607 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.784 HD13 ' HB1' ' A' ' 81' ' ' ALA . 78.9 mt -63.01 -60.97 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.246 0.546 . . . . 0.34000000000000002 110.485 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.82 -25.31 65.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.229 -0.896 . . . . 2.4100000000000001 109.852 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.499 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -70.67 -42.21 62.94 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.604 -0.726 . . . . 0.44 112.676 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' ' 7' ' ' HIS . 62.9 mt -64.47 -40.25 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 117.593 0.697 . . . . 1.1599999999999999 109.338 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.76 -37.22 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.121 -0.945 . . . . 0.56999999999999995 110.389 174.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.472 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 8.9 t30 -69.41 -41.91 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 1.4199999999999999 110.657 176.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.62 -43.5 91.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.292 -0.413 . . . . 2.0600000000000001 110.269 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.05 -40.83 98.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.591 -0.522 . . . . 2.5800000000000001 109.591 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -58.41 -37.69 75.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.705 0.288 . . . . 2.23 110.963 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 16.0 mm100 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 2.77 111.335 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.421 ' HB2' ' CD ' ' B' ' 32' ' ' GLU . 66.9 mt . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 121.27 0.557 . . . . 2.9100000000000001 112.25 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -84.47 -170.54 3.16 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.167 0.802 . . . . 1.3500000000000001 113.167 -168.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.535 ' HB2' ' CD2' ' B' ' 58' ' ' PHE . 8.8 ttpp -56.03 -20.4 16.66 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.008 -0.996 . . . . 1.3200000000000001 113.213 -177.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' B' ' 34' ' ' LYS . . . -54.13 -55.26 27.1 Favored Glycine 0 N--CA 1.463 0.434 0 C-N-CA 121.403 -0.427 . . . . 0.40000000000000002 114.101 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' B' ' 28' ' ' LEU . 4.2 pt-20 -74.3 -29.46 61.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.853 0.359 . . . . 2.4300000000000002 111.534 -175.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 37.1 tp -60.33 -52.73 64.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.993 -0.743 . . . . 0.52000000000000002 108.993 172.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' B' ' 31' ' ' GLY . 28.8 ttmt -48.51 -48.25 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.506 -1.224 . . . . 1.8700000000000001 110.922 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.604 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 46.3 mt-30 -55.71 -62.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.4500000000000002 110.716 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -49.57 -47.47 49.23 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.302 0.573 . . . . 0.45000000000000001 110.512 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.0 mt -63.71 -52.36 60.9 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.762 -0.654 . . . . 0.45000000000000001 112.378 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.492 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.5 p -64.4 -35.49 81.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.437 -0.347 . . . . 1.23 111.729 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.7 ptmt -97.28 -26.89 14.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.38 0.881 . . . . 1.6200000000000001 113.38 -175.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 64.2 mm-40 -98.98 -41.71 7.45 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.148 0.499 . . . . 1.6699999999999999 111.105 -176.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.511 HD22 HD11 ' A' ' 8' ' ' LEU . 15.5 mt -107.92 24.57 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.393 0.616 . . . . 1.4199999999999999 109.963 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.404 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -46.33 -40.0 11.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.257 -1.338 . . . . 0.78000000000000003 113.773 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -117.8 28.9 8.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.187 0.518 . . . . 2.1600000000000001 110.795 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.514 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.6 m -112.73 -60.33 1.89 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.459 0.647 . . . . 0.66000000000000003 110.324 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 48.9 mt -86.76 138.37 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.943 -1.026 . . . . 0.59999999999999998 109.577 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.501 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -54.69 122.86 11.57 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 120.661 0.267 . . . . 1.6100000000000001 110.695 -177.261 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.501 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 13.3 m120 45.22 44.91 9.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.021 -0.99 . . . . 1.48 111.835 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.8 tp -61.31 -10.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.816 0.817 . . . . 0.56000000000000005 110.875 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.492 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.7 mmmm -84.7 -10.45 57.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.273 -0.876 . . . . 1.1100000000000001 110.28 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.0 129.37 37.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.416 -0.811 . . . . 1.5900000000000001 111.358 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.66 -31.18 71.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.595 -1.184 . . . . 0.92000000000000004 111.157 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.82 77.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.264 -0.643 . . . . 0.67000000000000004 109.264 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.47 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.6 t -72.55 -47.39 51.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.711 -1.131 . . . . 0.59999999999999998 109.643 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.27 -38.07 76.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.339 -0.846 . . . . 0.41999999999999998 111.563 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.69 -54.72 38.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 109.426 -0.583 . . . . 1.53 109.426 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -46.58 -44.27 17.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.142 -0.935 . . . . 1.77 111.341 176.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.654 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.1 mt -70.62 -60.18 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.57 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' B' ' 30' ' ' LYS . 84.0 t80 -55.52 -46.43 77.04 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.824 0.345 . . . . 1.6699999999999999 110.917 -177.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' B' ' 59' ' ' GLN . 13.7 mm-40 -64.35 -25.05 67.86 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.688 -0.687 . . . . 1.9099999999999999 110.341 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.24 -29.27 46.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.792 -0.718 . . . . 0.53000000000000003 112.799 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 3.0 mt -84.86 -39.87 17.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 117.102 0.451 . . . . 0.58999999999999997 110.1 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.42 67.78 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.304 -0.862 . . . . 1.3999999999999999 110.569 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.16 -19.34 47.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 1.3100000000000001 109.749 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.61 -19.73 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.268 -0.878 . . . . 2.7999999999999998 109.963 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 62.26 37.26 14.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.683 -1.144 . . . . 2.7200000000000002 112.48 171.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -120.53 9.77 10.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.73 0.3 . . . . 2.1400000000000001 110.991 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 64.03 51.71 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 2.0099999999999998 109.951 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.2 118.3 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 2.1600000000000001 110.619 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.8 p -80.75 107.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.661 0.743 . . . . 1.8100000000000001 110.358 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.488 ' HB3' ' HG2' ' B' ' 73' ' ' GLU . 22.3 t70 -85.8 175.06 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.029 -0.73 . . . . 2.02 109.029 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.285 0.493 . . . . 2.1800000000000002 110.058 176.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 21.5 tt0 -68.33 -43.1 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 1.6699999999999999 111.023 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.4 mm-40 -70.2 -31.05 68.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.727 0.775 . . . . 1.99 109.487 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.625 ' O ' HG23 ' B' ' 78' ' ' VAL . 69.8 t80 -74.43 -20.76 59.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 1.9199999999999999 109.707 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -68.08 -40.61 83.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.616 -0.72 . . . . 0.67000000000000004 109.734 177.448 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.588 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.6 p -70.45 -29.19 65.69 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.005 -0.543 . . . . 0.73999999999999999 109.628 173.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.589 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.5 tm? -59.32 -46.76 87.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.769 -0.456 . . . . 1.1399999999999999 109.769 173.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.8 t -64.06 -29.78 48.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.59 -0.522 . . . . 0.33000000000000002 109.59 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.59 -51.12 69.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.204 0.526 . . . . 0.42999999999999999 109.962 174.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.588 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -55.74 -41.2 64.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.315 -0.857 . . . . 0.40000000000000002 110.323 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.785 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.78 -33.47 58.05 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.434 -0.803 . . . . 0.28000000000000003 112.57 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 93.7 mt -73.72 -35.07 65.05 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.344 0.592 . . . . 0.33000000000000002 109.943 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.461 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -62.61 -49.61 74.54 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.558 -0.746 . . . . 1.6699999999999999 109.211 170.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -62.84 -22.05 66.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.032 -0.531 . . . . 0.47999999999999998 112.065 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.22 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.779 0.288 . . . . 0.56999999999999995 111.779 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.91 -42.28 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.456 0.645 . . . . 2.6800000000000002 110.626 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' B' ' 89' ' ' THR . 8.4 t80 -90.11 23.73 2.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.087 -0.96 . . . . 1.8 109.303 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -46.29 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.725 2.12 . . . . 3.27 116.725 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.485 ' N ' ' O ' ' B' ' 87' ' ' TYR . 2.5 t -71.76 -45.55 61.32 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.559 -0.904 . . . . 1.27 108.559 173.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 N--CA 1.468 0.467 0 C-N-CA 123.637 0.775 . . . . 3.4700000000000002 109.852 176.814 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 114.404 1.261 . . . . 3.1000000000000001 114.404 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.54 -42.48 64.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 2.5099999999999998 111.15 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.467 ' O ' HG13 ' A' ' 11' ' ' ILE . 16.6 m-70 -75.56 -55.22 5.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.436 -0.347 . . . . 2.1600000000000001 110.51 -176.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.908 HD13 ' HB1' ' B' ' 81' ' ' ALA . 57.0 mt -62.19 -60.32 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.215 0.531 . . . . 0.34000000000000002 111.559 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.34 -26.8 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.68 -0.691 . . . . 2.4100000000000001 109.932 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.44 -38.27 90.81 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.915 -0.659 . . . . 0.44 112.577 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.9 mt -66.43 -42.31 90.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.243 -0.651 . . . . 1.1599999999999999 109.243 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.544 ' O ' ' HB3' ' A' ' 15' ' ' PHE . 71.1 t -64.71 -33.13 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 114.594 -1.184 . . . . 0.56999999999999995 111.323 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -64.93 -43.27 93.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 1.4199999999999999 111.393 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 mm -72.12 -23.86 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.116 0.484 . . . . 2.0600000000000001 110.258 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.544 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 61.9 t80 -59.34 -42.81 92.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.297 -0.631 . . . . 2.5699999999999998 109.297 171.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.23 -0.895 . . . . 2.23 110.657 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 2.77 112.243 -176.881 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 121.038 0.447 . . . . 2.9100000000000001 110.59 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.7 p -85.75 -172.73 4.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.417 -0.356 . . . . 1.3500000000000001 111.402 -176.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -65.59 -27.21 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.058 -0.257 . . . . 1.3200000000000001 111.328 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 -41.85 99.64 Favored Glycine 0 CA--C 1.513 -0.089 0 C-N-CA 120.558 -0.829 . . . . 0.40000000000000002 112.099 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.36 -42.2 75.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.289 0.566 . . . . 2.4399999999999999 110.427 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.668 HD11 ' HG ' ' A' ' 77' ' ' LEU . 23.3 tp -62.39 -51.55 67.14 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.152 -0.931 . . . . 0.52000000000000002 109.639 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -53.44 -46.04 69.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 1.8700000000000001 111.089 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -53.25 -58.77 5.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.256 -0.429 . . . . 2.46 110.042 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.5 tt -54.38 -51.63 64.23 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.936 0.398 . . . . 0.45000000000000001 110.599 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD21 HD21 ' A' ' 77' ' ' LEU . 97.0 mt -58.85 -49.67 76.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.757 0.651 . . . . 0.45000000000000001 112.757 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.511 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 28.7 p -66.39 -31.55 72.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.003 0.371 . . . . 1.23 112.003 -174.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -96.62 -22.56 16.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.721 0.638 . . . . 1.6100000000000001 112.721 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 24.6 mm-40 -103.36 -46.48 4.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.964 0.411 . . . . 1.6699999999999999 111.826 -174.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.699 HD22 HD11 ' B' ' 8' ' ' LEU . 15.8 mt -107.14 22.2 16.36 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.071 -0.513 . . . . 1.4199999999999999 109.765 -174.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -48.13 -34.32 9.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.767 -1.106 . . . . 0.78000000000000003 113.036 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -122.38 35.75 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.447 0.641 . . . . 2.1600000000000001 110.771 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.527 HG21 HD12 ' B' ' 8' ' ' LEU . 16.9 m -119.73 -62.81 1.45 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.304 0.573 . . . . 0.66000000000000003 109.941 174.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 57.0 mt -84.71 133.29 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.267 -0.879 . . . . 0.59999999999999998 109.753 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -53.23 127.0 22.89 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 123.359 0.412 . . . . 1.6100000000000001 110.909 -178.769 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.41 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 9.3 m120 48.34 39.77 13.11 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.918 0.761 . . . . 1.48 111.406 174.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.0 tp -62.65 -8.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 122.09 0.948 . . . . 0.55000000000000004 110.25 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.6 OUTLIER -84.66 -12.95 52.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.744 -1.116 . . . . 1.1100000000000001 110.214 178.535 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.34 129.41 34.86 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.691 -0.686 . . . . 1.5800000000000001 110.53 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.75 -26.41 67.71 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.574 -0.739 . . . . 0.92000000000000004 109.702 178.18 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.33 78.03 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.64 0.733 . . . . 0.67000000000000004 109.393 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.0 t -74.69 -45.2 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.61 -1.177 . . . . 0.59999999999999998 109.397 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.89 -38.55 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.921 -1.036 . . . . 0.41999999999999998 111.438 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 1.1 t70 -66.62 -43.34 85.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.169 -0.678 . . . . 1.53 109.169 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 28.6 mm-40 -50.85 -47.2 60.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 1.77 110.941 174.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 63.2 mt -71.85 -53.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.903 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 88.2 t80 -52.08 -48.57 64.63 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.336 -0.847 . . . . 1.6799999999999999 110.818 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.6 HE21 ' HA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -68.11 -25.9 65.54 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.795 -0.639 . . . . 1.9199999999999999 110.695 -179.411 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.48 73.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.895 -0.669 . . . . 0.53000000000000003 111.736 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -90.08 -39.99 12.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.542 -0.54 . . . . 0.57999999999999996 109.542 179.179 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.41 69.89 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.498 0.666 . . . . 1.3999999999999999 110.007 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.82 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 1.3 110.975 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -86.88 -11.63 50.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.224 0.535 . . . . 2.7999999999999998 110.131 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 60.55 43.04 13.33 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.101 -0.954 . . . . 2.7200000000000002 110.572 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -99.85 -10.7 21.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 2.1299999999999999 109.825 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 34.3 mt-10 65.29 29.59 11.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.763 -1.108 . . . . 2.02 111.696 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -139.58 120.3 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.102 -0.499 . . . . 2.1600000000000001 110.607 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.03 115.28 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.666 -0.697 . . . . 1.8100000000000001 110.828 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.565 ' HB3' ' HG2' ' A' ' 73' ' ' GLU . 20.1 t70 -79.16 166.8 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 2.02 109.086 173.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.462 ' HD1' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 m-85 -56.21 -36.82 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.242 0.544 . . . . 2.1699999999999999 110.286 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 62.0 tt0 -69.32 -40.65 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.374 -0.83 . . . . 1.6599999999999999 110.445 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 70' ' ' ASP . 2.5 mm-40 -73.16 -30.48 63.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.647 -0.706 . . . . 1.99 109.892 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.585 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 80.4 t80 -70.41 -23.09 62.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.527 0.68 . . . . 1.9199999999999999 109.462 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.64 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.7 mt -70.78 -40.34 76.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.425 -0.807 . . . . 0.67000000000000004 109.472 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.717 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.35 -23.49 63.77 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.072 -0.513 . . . . 0.73999999999999999 110.251 173.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.668 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.2 tm? -60.81 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.893 -0.781 . . . . 1.1499999999999999 108.893 172.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.485 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 8.6 t -63.17 -31.4 52.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 CA-C-N 115.613 -0.721 . . . . 0.33000000000000002 109.514 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -59.04 -50.69 73.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 0.42999999999999999 110.714 176.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.717 HD13 ' O ' ' A' ' 76' ' ' SER . 1.4 mp -58.15 -38.77 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.313 -0.858 . . . . 0.40000000000000002 110.311 177.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.912 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.39 -37.44 60.51 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.488 -0.778 . . . . 0.28000000000000003 111.716 -176.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -64.9 -35.37 80.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.572 0.701 . . . . 0.33000000000000002 109.294 173.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.635 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 13.3 mttp -75.84 -20.76 57.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.292 -0.867 . . . . 1.6699999999999999 111.105 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.87 -24.94 62.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.27 0.557 . . . . 0.47999999999999998 109.654 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -82.83 -57.51 3.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.45 -0.795 . . . . 0.56999999999999995 111.286 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.414 ' C ' ' H ' ' A' ' 88' ' ' HIS . 38.6 t60 -83.41 -57.85 3.07 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 2.6800000000000002 111.783 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.512 ' C ' ' H ' ' A' ' 89' ' ' THR . 21.2 t80 -83.46 22.4 1.05 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 1.8 110.148 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 86' ' ' HIS . 6.2 p-80 -47.12 19.97 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.556 1.942 . . . . 3.2599999999999998 116.186 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.512 ' H ' ' C ' ' A' ' 87' ' ' TYR . 39.5 p -67.99 -44.9 75.57 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.925 -0.485 . . . . 1.26 111.211 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m80 . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 3.4700000000000002 110.436 179.037 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 114.515 1.302 . . . . 3.1000000000000001 114.515 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.26 -42.48 63.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 2.5099999999999998 111.177 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.464 ' O ' HG13 ' B' ' 11' ' ' ILE . 16.7 m-70 -75.63 -55.17 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.415 -0.357 . . . . 2.1600000000000001 110.446 -176.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.912 HD13 ' HB1' ' A' ' 81' ' ' ALA . 56.8 mt -62.35 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 0.34000000000000002 111.526 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.32 -26.92 63.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.672 -0.695 . . . . 2.4100000000000001 109.945 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.61 92.1 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.941 -0.647 . . . . 0.44 112.493 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.4 mt -66.24 -42.13 90.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.242 -0.651 . . . . 1.1599999999999999 109.242 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' B' ' 15' ' ' PHE . 70.0 t -64.73 -33.53 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.727 -1.124 . . . . 0.56999999999999995 111.2 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.66 -43.56 93.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.4199999999999999 111.266 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 mm -71.89 -23.83 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.004 0.43 . . . . 2.0600000000000001 110.198 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.558 ' HB3' ' O ' ' B' ' 12' ' ' VAL . 61.7 t80 -59.48 -42.53 92.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.276 -0.639 . . . . 2.5800000000000001 109.276 171.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.41 -21.91 61.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.258 -0.883 . . . . 2.23 110.647 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 2.77 112.34 -176.68 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 121.034 0.445 . . . . 2.9100000000000001 110.543 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -85.84 -172.76 4.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.469 -0.332 . . . . 1.3500000000000001 111.466 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.43 -27.29 68.42 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.99 -0.284 . . . . 1.3200000000000001 111.341 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.02 99.67 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.584 -0.817 . . . . 0.40000000000000002 111.942 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.34 -42.06 75.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 2.4300000000000002 110.443 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.674 HD11 ' HG ' ' B' ' 77' ' ' LEU . 23.5 tp -62.51 -51.47 67.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.229 -0.896 . . . . 0.52000000000000002 109.635 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.38 -45.93 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.458 -0.792 . . . . 1.8700000000000001 111.112 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.48 -58.72 6.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.181 -0.463 . . . . 2.4500000000000002 110.027 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 9.4 tt -54.33 -51.7 63.87 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 123.289 0.368 . . . . 0.45000000000000001 110.591 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.619 HD21 HD21 ' B' ' 77' ' ' LEU . 97.0 mt -58.83 -49.68 76.83 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.723 0.638 . . . . 0.45000000000000001 112.723 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 29.6 p -66.34 -31.48 72.3 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.073 0.397 . . . . 1.23 112.073 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -96.56 -22.68 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.803 0.668 . . . . 1.6200000000000001 112.803 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 25.7 mm-40 -103.41 -46.43 4.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.935 0.398 . . . . 1.6699999999999999 111.8 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.725 HD22 HD11 ' A' ' 8' ' ' LEU . 15.8 mt -107.17 22.14 16.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.1 -0.5 . . . . 1.4199999999999999 109.735 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -48.05 -34.71 9.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.738 -1.119 . . . . 0.78000000000000003 112.902 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -122.06 35.84 4.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.403 0.62 . . . . 2.1600000000000001 110.657 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.5 HG21 HD12 ' A' ' 8' ' ' LEU . 16.7 m -119.81 -62.68 1.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.545 . . . . 0.66000000000000003 109.972 174.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 57.1 mt -84.9 133.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.251 -0.886 . . . . 0.59999999999999998 109.742 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.4 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -53.15 127.04 22.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.346 0.404 . . . . 1.6100000000000001 110.856 -178.621 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.407 ' HB2' HG21 ' B' ' 53' ' ' VAL . 9.2 m120 48.44 39.64 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.84 0.712 . . . . 1.48 111.418 174.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.0 tp -62.62 -8.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 122.049 0.928 . . . . 0.56000000000000005 110.277 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.434 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.76 -12.61 53.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.709 -1.132 . . . . 1.1100000000000001 110.159 178.616 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.6 128.91 35.02 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 115.643 -0.708 . . . . 1.5900000000000001 110.617 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.48 68.07 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.44 -0.8 . . . . 0.92000000000000004 109.894 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.74 78.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.507 0.67 . . . . 0.67000000000000004 109.365 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.437 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -74.22 -45.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.5 -1.227 . . . . 0.59999999999999998 109.509 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.05 -38.68 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.885 -1.052 . . . . 0.41999999999999998 111.386 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 1.0 OUTLIER -66.51 -43.25 85.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.055 -0.72 . . . . 1.53 109.055 -178.671 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -51.0 -47.08 61.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.162 -0.926 . . . . 1.77 110.981 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.577 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 63.4 mt -71.93 -53.03 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.872 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 87.9 t80 -52.2 -48.56 65.0 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.357 -0.838 . . . . 1.6699999999999999 110.77 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.613 HE21 ' HA ' ' B' ' 59' ' ' GLN . 0.0 OUTLIER -68.22 -25.82 65.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.682 -0.69 . . . . 1.9099999999999999 110.723 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.69 -31.45 70.52 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.801 -0.714 . . . . 0.53000000000000003 111.833 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -90.57 -39.91 12.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.53 -0.544 . . . . 0.58999999999999997 109.53 178.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -77.62 70.13 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.608 0.718 . . . . 1.3999999999999999 110.011 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.22 -17.3 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.561 -0.745 . . . . 1.3100000000000001 111.003 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -87.4 -11.3 49.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.266 0.555 . . . . 2.7999999999999998 110.163 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.11 43.39 14.3 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.14 -0.936 . . . . 2.7200000000000002 110.571 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.88 -10.95 21.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.504 -0.771 . . . . 2.1400000000000001 109.744 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.474 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 34.2 mt-10 65.06 30.4 11.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.731 -1.122 . . . . 2.0099999999999998 111.637 -177.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.31 120.49 13.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.984 -0.553 . . . . 2.1600000000000001 110.544 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.54 114.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.614 -0.721 . . . . 1.8100000000000001 110.797 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' B' ' 73' ' ' GLU . 21.3 t70 -78.79 166.8 22.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.302 -0.629 . . . . 2.02 109.302 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.473 ' HD1' ' CZ ' ' B' ' 15' ' ' PHE . 1.6 m-85 -56.31 -37.04 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.327 0.584 . . . . 2.1800000000000002 110.15 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.516 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 61.8 tt0 -69.02 -40.52 78.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.353 -0.839 . . . . 1.6699999999999999 110.663 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' B' ' 70' ' ' ASP . 2.5 mm-40 -73.29 -30.52 63.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.634 -0.712 . . . . 1.99 109.858 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.582 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 80.6 t80 -70.44 -23.03 62.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.593 0.711 . . . . 1.9199999999999999 109.498 173.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.635 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.7 mt -70.59 -40.58 77.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.412 -0.813 . . . . 0.67000000000000004 109.465 176.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.708 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.0 p -69.41 -23.19 63.68 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.068 -0.514 . . . . 0.73999999999999999 110.246 173.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.674 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.2 tm? -60.88 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.92 -0.77 . . . . 1.1399999999999999 108.92 172.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 8.9 t -63.26 -31.29 52.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-N 115.562 -0.744 . . . . 0.33000000000000002 109.473 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.14 -50.77 72.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.078 -0.51 . . . . 0.42999999999999999 110.678 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.708 HD13 ' O ' ' B' ' 76' ' ' SER . 1.4 mp -58.09 -38.68 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 0.40000000000000002 110.29 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.908 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.55 -37.32 60.06 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.514 -0.766 . . . . 0.28000000000000003 111.706 -176.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.2 mt -65.0 -35.19 80.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.56 0.695 . . . . 0.33000000000000002 109.376 173.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.64 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 13.4 mttp -75.93 -20.78 57.69 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.298 -0.865 . . . . 1.6699999999999999 111.097 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.9 -24.9 62.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.317 0.579 . . . . 0.47999999999999998 109.562 173.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.441 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.05 -57.69 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.439 -0.801 . . . . 0.56999999999999995 111.127 173.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' B' ' 88' ' ' HIS . 39.0 t60 -83.13 -58.11 2.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.929 0.395 . . . . 2.6800000000000002 111.637 -174.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.519 ' C ' ' H ' ' B' ' 89' ' ' THR . 20.9 t80 -83.21 22.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.177 0.591 . . . . 1.8 110.209 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . 0.416 ' H ' ' C ' ' B' ' 86' ' ' HIS . 6.2 p-80 -47.25 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.663 1.985 . . . . 3.27 116.187 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.519 ' H ' ' C ' ' B' ' 87' ' ' TYR . 41.2 p -67.77 -45.15 75.69 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.935 -0.478 . . . . 1.27 111.264 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 m80 . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.378 0.609 . . . . 3.4700000000000002 110.513 179.217 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.516 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.225 0 N-CA-C 112.074 0.398 . . . . 3.1000000000000001 112.074 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 35.4 mt-10 -61.59 -33.97 74.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.341 0.591 . . . . 2.5099999999999998 110.485 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.42 -58.61 3.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.822 -0.626 . . . . 2.1600000000000001 110.525 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.816 HD13 ' HB1' ' B' ' 81' ' ' ALA . 82.0 mt -64.0 -60.07 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.34000000000000002 111.453 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.35 -25.03 64.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.566 -0.531 . . . . 2.4100000000000001 109.566 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.606 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.71 -43.43 97.81 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.864 -0.684 . . . . 0.44 112.496 174.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.26 -45.93 92.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.185 0.517 . . . . 1.1599999999999999 109.869 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' B' ' 86' ' ' HIS . 4.1 t -51.03 -42.85 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.371 -0.831 . . . . 0.56999999999999995 111.4 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.43 -34.54 77.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 1.4199999999999999 111.126 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.606 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.6 mm -68.05 -41.27 84.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 120.832 0.349 . . . . 2.0600000000000001 110.207 177.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 74' ' ' PHE . 22.3 m-85 -58.56 -49.75 76.31 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.044 -0.724 . . . . 2.5699999999999998 109.044 173.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.83 -21.27 64.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.026 -0.988 . . . . 2.23 111.326 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 7.3 tp-100 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.372 -0.377 . . . . 2.77 111.599 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 2.1 mm? . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 107.987 -1.116 . . . . 2.9100000000000001 107.987 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 m -104.73 -172.92 2.19 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.829 0.677 . . . . 1.3500000000000001 112.829 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 2.1 ttmp? -66.86 -35.88 81.05 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.311 -0.404 . . . . 1.3200000000000001 111.034 -177.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.97 -44.02 87.83 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 121.293 -0.479 . . . . 0.40000000000000002 113.186 -177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.33 -39.67 89.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.081 0.467 . . . . 2.4399999999999999 110.642 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.4 tp -62.52 -46.05 90.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.795 . . . . 0.52000000000000002 109.636 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 59.9 tttm -56.02 -45.44 79.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.343 -0.844 . . . . 1.8700000000000001 111.472 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.0 mp0 -57.67 -61.26 2.64 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.014 -0.274 . . . . 2.46 110.336 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.3 tt -49.14 -43.89 42.12 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 123.856 0.722 . . . . 0.45000000000000001 110.974 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 91.2 mt -68.27 -50.86 50.88 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.262 0.467 . . . . 0.45000000000000001 112.262 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 49' ' ' LYS . 31.7 p -65.79 -29.29 69.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.384 -0.371 . . . . 1.23 111.804 -175.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.9 ptmt -96.88 -39.87 9.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.678 0.621 . . . . 1.6100000000000001 112.678 -177.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 10.3 mm-40 -92.86 -46.48 7.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.855 0.36 . . . . 1.6699999999999999 111.532 -170.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.571 HD22 HD11 ' B' ' 8' ' ' LEU . 17.5 mt -102.87 23.32 12.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.227 0.536 . . . . 1.4199999999999999 109.803 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.557 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.864 -1.062 . . . . 0.78000000000000003 111.97 -178.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -110.8 25.1 12.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.89 -0.595 . . . . 2.1600000000000001 110.632 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.534 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 13.4 m -120.41 -65.57 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.54 . . . . 0.66000000000000003 110.683 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.558 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 46.1 mt -84.16 137.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.024 -0.989 . . . . 0.59999999999999998 110.645 -174.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -58.7 127.36 31.81 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.596 -0.275 . . . . 1.6100000000000001 110.566 -179.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.444 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 3.9 m-20 48.65 39.5 13.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.501 -0.772 . . . . 1.48 110.931 175.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.558 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.1 tp -63.21 -8.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 122.247 1.022 . . . . 0.55000000000000004 110.032 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.528 ' HA ' HG22 ' A' ' 38' ' ' THR . 14.1 mmmm -82.27 -12.28 58.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.45 -1.25 . . . . 1.1100000000000001 109.893 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.5 133.34 35.12 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 121.493 0.664 . . . . 1.5800000000000001 110.686 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -62.19 -27.47 69.0 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.638 -1.165 . . . . 0.92000000000000004 110.77 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.86 74.08 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.664 0.745 . . . . 0.67000000000000004 109.469 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.6 t -76.78 -42.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.781 -1.1 . . . . 0.59999999999999998 109.41 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.419 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.4 mt -61.91 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.203 -0.908 . . . . 0.41999999999999998 111.101 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 17.0 t70 -60.63 -54.25 47.63 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 115.526 -0.761 . . . . 1.53 109.466 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -45.6 -46.18 14.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.311 -0.859 . . . . 1.77 111.439 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 53' ' ' VAL . 51.8 mt -69.21 -57.6 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.047 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.496 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 91.8 t80 -55.9 -44.51 78.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 1.6799999999999999 110.941 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 71.7 mm-40 -62.15 -29.49 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.863 -0.608 . . . . 1.9199999999999999 109.986 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.53 -22.44 75.35 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.53000000000000003 112.987 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -97.05 -41.44 8.36 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 117.315 0.558 . . . . 0.57999999999999996 109.903 179.699 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.21 76.67 0.09 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.138 0.899 . . . . 1.3999999999999999 110.693 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.67 -16.35 54.21 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.816 -1.084 . . . . 1.3 109.441 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.29 -20.42 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.919 -1.037 . . . . 2.7999999999999998 109.963 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 60.05 34.44 21.37 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 114.623 -1.172 . . . . 2.7200000000000002 111.545 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -135.36 17.05 3.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.812 0.815 . . . . 2.1299999999999999 109.66 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 60.99 52.8 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.526 -1.215 . . . . 2.02 109.982 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -134.55 116.84 15.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.532 -0.758 . . . . 2.1600000000000001 109.673 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 4.6 p -103.69 107.97 23.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 121.542 0.686 . . . . 1.8100000000000001 110.507 176.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.85 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.649 . . . . 2.02 109.535 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 97.2 m-85 -61.61 -26.54 68.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.994 0.426 . . . . 2.1699999999999999 110.92 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.608 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 51.8 tt0 -70.45 -35.44 73.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.309 0.576 . . . . 1.6599999999999999 110.364 172.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 35.0 mt-10 -80.43 -29.95 37.61 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 1.99 109.989 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 22.9 m-85 -62.32 -27.59 69.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.326 0.584 . . . . 1.9199999999999999 109.536 166.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.608 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -68.38 -40.43 82.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.362 -0.836 . . . . 0.67000000000000004 109.328 176.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 80' ' ' ILE . 49.1 m -59.84 -36.06 76.04 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.538 -0.756 . . . . 0.73999999999999999 109.884 173.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.567 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 7.1 tp -57.63 -46.31 84.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.1499999999999999 110.731 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.442 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.9 t -67.21 -25.89 34.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 0.33000000000000002 109.817 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.93 -48.81 78.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.287 0.565 . . . . 0.42999999999999999 109.597 172.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -62.24 -37.59 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.166 -0.924 . . . . 0.40000000000000002 110.405 176.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.866 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.97 -38.43 53.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.908 -0.587 . . . . 0.28000000000000003 112.388 -174.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.9 mt -69.22 -36.11 76.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.625 0.726 . . . . 0.33000000000000002 109.092 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -59.55 -38.39 80.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.729 -1.123 . . . . 1.6699999999999999 109.891 171.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.09 -22.95 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.845 . . . . 0.47999999999999998 111.666 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.61 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.3 -58.55 2.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.516 -0.311 . . . . 0.56999999999999995 111.539 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.621 ' HB2' HG13 ' B' ' 12' ' ' VAL . 72.7 t60 -86.21 -50.64 6.83 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.292 0.479 . . . . 2.6800000000000002 112.292 -174.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.553 ' O ' HG22 ' A' ' 89' ' ' THR . 4.6 t80 -89.74 23.04 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.766 -0.457 . . . . 1.8 109.766 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -45.74 20.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 117.029 2.233 . . . . 3.2599999999999998 117.029 -174.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 87' ' ' TYR . 4.5 t -62.98 -33.69 75.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 118.738 0.699 . . . . 1.26 112.865 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.532 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 27.3 t60 . . . . . 0 N--CA 1.47 0.56 0 O-C-N 122.052 -0.405 . . . . 3.4700000000000002 111.591 -177.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.534 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.174 0 N-CA-C 112.085 0.402 . . . . 3.1000000000000001 112.085 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.45 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 34.8 mt-10 -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.444 0.64 . . . . 2.5099999999999998 110.483 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.54 -58.56 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.815 -0.63 . . . . 2.1600000000000001 110.489 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.866 HD13 ' HB1' ' A' ' 81' ' ' ALA . 82.3 mt -63.98 -59.96 3.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.34000000000000002 111.509 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -68.6 -24.87 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 2.4100000000000001 109.64 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.603 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.95 -43.32 97.63 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.793 -0.718 . . . . 0.44 112.41 174.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.27 -46.04 91.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 1.1599999999999999 109.819 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' A' ' 86' ' ' HIS . 4.1 t -51.05 -42.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.297 -0.865 . . . . 0.56999999999999995 111.495 171.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -67.32 -34.84 78.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.637 -0.71 . . . . 1.4199999999999999 111.048 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.603 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.5 mm -67.97 -41.12 84.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-O 120.816 0.341 . . . . 2.0600000000000001 110.235 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' B' ' 74' ' ' PHE . 22.3 m-85 -58.63 -49.94 75.65 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.035 -0.728 . . . . 2.5800000000000001 109.035 173.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.64 -21.57 64.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.079 -0.964 . . . . 2.23 111.119 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.565 -0.289 . . . . 2.77 111.513 -178.38 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' B' ' 69' ' ' VAL . 2.1 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.0 -1.111 . . . . 2.9100000000000001 108.0 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -104.69 -172.88 2.18 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.776 0.658 . . . . 1.3500000000000001 112.776 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.511 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 2.1 ttmp? -66.85 -35.86 81.0 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.29 -0.414 . . . . 1.3200000000000001 111.119 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.12 87.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.31 -0.471 . . . . 0.40000000000000002 113.166 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -66.36 -39.7 89.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 2.4300000000000002 110.713 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.8 tp -62.28 -46.15 90.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.429 -0.805 . . . . 0.52000000000000002 109.675 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 59.7 tttm -56.0 -45.48 79.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.357 -0.838 . . . . 1.8700000000000001 111.556 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.622 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.0 mp0 -57.43 -61.51 2.44 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.277 -0.268 . . . . 2.4500000000000002 110.277 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.3 tt -49.2 -43.54 42.41 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.812 0.695 . . . . 0.45000000000000001 111.027 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 90.3 mt -68.5 -50.9 48.82 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 112.276 0.473 . . . . 0.45000000000000001 112.276 -177.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.512 HG22 ' HA ' ' B' ' 49' ' ' LYS . 28.7 p -65.78 -28.97 69.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.373 -0.376 . . . . 1.23 111.766 -175.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 17.9 ptmt -97.17 -40.07 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.6 0.592 . . . . 1.6200000000000001 112.6 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.496 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 9.8 mm-40 -92.74 -46.39 7.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.928 0.394 . . . . 1.6699999999999999 111.6 -170.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 8' ' ' LEU . 17.7 mt -102.82 23.23 12.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.218 0.532 . . . . 1.4199999999999999 109.818 -174.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.543 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -56.21 -30.35 62.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.817 -1.083 . . . . 0.78000000000000003 111.937 -178.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -111.05 24.83 12.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.92 -0.582 . . . . 2.1600000000000001 110.74 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 12.3 m -120.23 -66.16 1.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.279 0.561 . . . . 0.66000000000000003 110.502 177.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 46.6 mt -83.65 137.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.119 -0.946 . . . . 0.59999999999999998 110.499 -173.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -58.89 127.26 31.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.538 -0.301 . . . . 1.6100000000000001 110.674 -179.159 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.435 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 3.9 m-20 48.74 39.54 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.56 -0.746 . . . . 1.48 110.837 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -63.25 -8.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 122.284 1.04 . . . . 0.56000000000000005 110.023 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.512 ' HA ' HG22 ' B' ' 38' ' ' THR . 14.0 mmmm -82.46 -12.07 58.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.32 -1.309 . . . . 1.1100000000000001 109.959 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.68 133.54 35.07 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.492 0.663 . . . . 1.5900000000000001 110.639 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.511 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -62.36 -27.24 68.93 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.591 -1.186 . . . . 0.92000000000000004 110.68 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.96 74.24 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.603 0.716 . . . . 0.67000000000000004 109.484 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.522 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.4 t -76.83 -42.24 33.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.652 -1.158 . . . . 0.59999999999999998 109.405 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.425 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.6 mt -61.81 -39.72 84.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 0.41999999999999998 111.148 174.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 16.5 t70 -60.59 -54.28 47.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.512 -0.767 . . . . 1.53 109.456 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -45.64 -45.93 14.28 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.291 -0.868 . . . . 1.77 111.461 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 53' ' ' VAL . 52.3 mt -69.48 -57.47 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.066 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.492 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 91.6 t80 -55.84 -44.65 78.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.951 -0.568 . . . . 1.6699999999999999 110.999 -176.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.1 mm-40 -62.05 -28.97 69.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.777 -0.647 . . . . 1.9099999999999999 110.105 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.91 -22.47 74.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.53000000000000003 113.081 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -97.04 -41.45 8.36 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 117.301 0.551 . . . . 0.58999999999999997 109.791 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.23 76.51 0.09 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.962 0.887 . . . . 1.3999999999999999 110.762 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.53 -16.31 54.55 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.899 -1.046 . . . . 1.3100000000000001 109.38 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.36 -20.25 61.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.864 -1.062 . . . . 2.7999999999999998 110.043 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 59.81 34.39 21.86 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.635 -1.166 . . . . 2.7200000000000002 111.558 173.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -135.39 16.85 3.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.694 0.759 . . . . 2.1400000000000001 109.642 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 35.4 tt0 60.92 53.02 3.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.67 -1.15 . . . . 2.0099999999999998 110.045 -174.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -134.71 116.44 14.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.46 -0.791 . . . . 2.1600000000000001 109.786 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' B' ' 28' ' ' LEU . 4.7 p -103.36 108.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.515 0.674 . . . . 1.8100000000000001 110.44 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.07 167.8 21.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.794 -0.639 . . . . 2.02 109.417 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 2.1800000000000002 110.918 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.604 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 51.7 tt0 -70.81 -35.27 72.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 1.6699999999999999 110.378 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 35.1 mt-10 -80.52 -29.96 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.936 -0.575 . . . . 1.99 110.039 178.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 22.7 m-85 -62.42 -27.58 69.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.417 0.627 . . . . 1.9199999999999999 109.488 166.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -68.38 -40.36 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.334 -0.848 . . . . 0.67000000000000004 109.398 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.604 ' O ' HD13 ' B' ' 80' ' ' ILE . 50.7 m -59.81 -36.13 76.12 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.545 -0.752 . . . . 0.73999999999999999 109.927 173.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 7.0 tp -57.45 -46.44 83.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.827 0.346 . . . . 1.1399999999999999 110.731 176.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 10.0 t -67.26 -25.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.152 -0.476 . . . . 0.33000000000000002 109.881 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.8 -49.18 77.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.283 0.564 . . . . 0.42999999999999999 109.513 172.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.604 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -61.97 -37.54 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.13 -0.941 . . . . 0.40000000000000002 110.498 176.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.816 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.06 -38.39 52.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.605 . . . . 0.28000000000000003 112.348 -174.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.9 mt -69.24 -36.08 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.761 . . . . 0.33000000000000002 109.143 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.493 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -59.59 -38.5 81.4 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.683 -1.144 . . . . 1.6699999999999999 109.86 172.014 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.16 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.287 -0.869 . . . . 0.47999999999999998 111.742 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.586 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.11 -58.74 2.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.438 -0.346 . . . . 0.56999999999999995 111.472 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.621 ' HB2' HG13 ' A' ' 12' ' ' VAL . 71.9 t60 -86.32 -50.25 7.07 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.278 0.473 . . . . 2.6800000000000002 112.278 -174.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.538 ' O ' HG22 ' B' ' 89' ' ' THR . 4.5 t80 -89.87 23.13 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 1.8 109.811 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -45.97 20.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.912 2.19 . . . . 3.27 116.912 -174.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.538 HG22 ' O ' ' B' ' 87' ' ' TYR . 4.3 t -62.61 -34.53 77.2 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.756 0.707 . . . . 1.27 112.841 -177.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 27.1 t60 . . . . . 0 N--CA 1.47 0.526 0 O-C-N 122.003 -0.436 . . . . 3.4700000000000002 111.571 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.455 ' CD ' ' HB3' ' B' ' 43' ' ' ASN . 3.9 mp0 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 108.912 -0.773 . . . . 3.1000000000000001 108.912 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 38.7 tt0 -61.2 -18.57 58.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.306 -1.315 . . . . 2.5099999999999998 111.849 -174.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.464 ' HA ' ' HA ' ' B' ' 7' ' ' HIS . 78.8 m-70 -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.403 -0.592 . . . . 2.1600000000000001 109.403 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.828 HD13 ' HB1' ' B' ' 81' ' ' ALA . 41.6 mt -65.03 -59.74 3.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.897 -1.047 . . . . 0.34000000000000002 111.249 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.07 -21.95 66.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 2.4100000000000001 110.569 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.68 -35.76 74.5 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.724 -0.75 . . . . 0.44 112.149 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.87 -38.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.942 0.877 . . . . 1.1599999999999999 109.582 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 85' ' ' ALA . 99.0 t -69.3 -41.48 81.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.888 -1.051 . . . . 0.56999999999999995 111.774 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -80.04 -19.29 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.065 0.395 . . . . 1.4199999999999999 112.065 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 pt -79.52 -31.68 14.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.082 -0.647 . . . . 2.0600000000000001 110.26 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.21 -43.68 73.63 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.529 -0.915 . . . . 2.5699999999999998 108.529 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -57.86 -32.52 67.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.752 -1.113 . . . . 2.23 110.17 174.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.585 -0.734 . . . . 2.77 112.148 -174.047 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 70' ' ' ASP . 78.1 mt . . . . . 0 C--O 1.222 -0.368 0 N-CA-C 109.188 -0.671 . . . . 2.9100000000000001 109.188 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 m -103.58 -172.7 2.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.844 0.683 . . . . 1.3500000000000001 112.844 -170.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 25.0 ttmt -75.64 -24.94 56.49 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.3200000000000001 111.503 -174.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.09 -58.55 13.99 Favored Glycine 0 C--N 1.327 0.075 0 C-N-CA 121.035 -0.602 . . . . 0.40000000000000002 113.117 -176.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -63.28 -38.32 90.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.002 0.429 . . . . 2.4399999999999999 111.22 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.631 HD11 HD13 ' A' ' 77' ' ' LEU . 16.5 tp -55.06 -50.08 70.01 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.215 -0.902 . . . . 0.52000000000000002 109.421 175.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 60.7 tttm -56.05 -46.83 78.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.663 -1.153 . . . . 1.8700000000000001 111.437 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.2 mp0 -56.4 -60.21 3.85 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 110.201 -0.296 . . . . 2.46 110.201 174.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -48.97 -50.59 34.93 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.762 0.664 . . . . 0.45000000000000001 110.743 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.65 HD21 HD11 ' A' ' 77' ' ' LEU . 95.1 mt -60.28 -50.06 75.15 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.357 0.503 . . . . 0.45000000000000001 112.357 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 49' ' ' LYS . 50.8 p -70.34 -27.75 64.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.071 0.397 . . . . 1.23 112.071 -174.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -97.62 -31.3 12.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.699 0.629 . . . . 1.6100000000000001 112.699 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -101.07 -39.54 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 1.6699999999999999 111.289 -172.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.81 20.95 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.744 -0.465 . . . . 1.4199999999999999 109.744 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.8 -30.88 35.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.065 -0.97 . . . . 0.78000000000000003 112.706 -176.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.468 ' HB3' ' CD ' ' B' ' 5' ' ' GLU . 65.5 t30 -115.68 26.09 10.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.033 0.444 . . . . 2.1600000000000001 111.395 -173.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -118.87 -64.19 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.283 0.564 . . . . 0.66000000000000003 110.345 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 44.7 mt -81.58 132.45 31.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.302 -0.863 . . . . 0.59999999999999998 110.009 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 1.9 pptp? -54.85 124.26 16.03 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.814 0.34 . . . . 1.6100000000000001 110.604 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 48.82 43.74 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.295 -0.866 . . . . 1.48 111.568 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -61.93 -9.17 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.993 0.902 . . . . 0.55000000000000004 110.2 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.5 OUTLIER -79.14 -13.21 59.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.959 -1.018 . . . . 1.1100000000000001 110.049 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.34 127.78 35.19 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.652 -0.704 . . . . 1.5800000000000001 111.129 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 21.4 tptp -64.1 -24.96 67.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.765 -1.107 . . . . 0.92000000000000004 110.699 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.97 63.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.466 -0.568 . . . . 0.67000000000000004 109.466 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.3 t -73.31 -44.54 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.144 -0.935 . . . . 0.59999999999999998 108.994 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 73.0 mt -64.35 -37.41 79.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.859 -1.064 . . . . 0.41999999999999998 111.365 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.63 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -63.37 -43.99 96.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.143 -0.688 . . . . 1.53 109.143 -178.357 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -53.99 -45.56 71.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.625 -1.171 . . . . 1.77 111.185 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.614 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 43.0 mt -68.71 -56.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.413 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 2.6 t80 -48.88 -47.41 43.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.342 -0.845 . . . . 1.6799999999999999 111.159 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -64.6 -31.84 73.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.983 -0.553 . . . . 1.9199999999999999 110.93 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.93 -22.33 78.79 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.873 -0.68 . . . . 0.53000000000000003 112.351 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -96.69 -44.64 7.02 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.675 -0.491 . . . . 0.57999999999999996 109.675 179.119 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -79.45 79.14 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.461 0.648 . . . . 1.3999999999999999 109.959 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.66 70.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.033 -0.985 . . . . 1.3 111.463 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.38 -18.87 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.185 0.516 . . . . 2.7999999999999998 111.034 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 63.98 52.26 2.11 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.985 -1.007 . . . . 2.7200000000000002 111.817 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -108.48 8.76 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.108 0.48 . . . . 2.1299999999999999 110.234 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 tt0 64.52 43.21 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.969 -1.014 . . . . 2.02 109.865 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 22.9 mt-30 -138.77 116.65 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.103 -0.953 . . . . 2.1600000000000001 110.136 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -106.77 107.92 23.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.866 -0.606 . . . . 1.8100000000000001 110.194 175.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.419 ' HA ' HD13 ' A' ' 28' ' ' LEU . 30.7 t70 -71.25 168.22 17.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.072 -0.513 . . . . 2.02 110.406 177.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.14 -31.15 66.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 2.1699999999999999 110.934 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.2 tt0 -74.14 -36.33 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.365 0.603 . . . . 1.6599999999999999 110.69 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -76.28 -29.01 57.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.493 0.663 . . . . 1.99 109.853 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' VAL . 45.3 t80 -70.59 -23.86 62.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.597 -0.729 . . . . 1.9199999999999999 109.178 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.504 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.77 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.25 -0.886 . . . . 0.67000000000000004 109.668 175.275 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.6 p -69.3 -24.21 63.91 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.21 -0.45 . . . . 0.73999999999999999 110.453 174.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.65 HD11 HD21 ' A' ' 37' ' ' LEU . 8.1 tt -65.68 -41.73 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.425 -0.583 . . . . 1.1499999999999999 109.425 174.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -64.31 -28.14 44.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 115.71 -0.677 . . . . 0.33000000000000002 109.445 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.75 -51.93 67.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.125 0.488 . . . . 0.42999999999999999 109.963 174.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.81 -37.63 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.507 -0.769 . . . . 0.40000000000000002 110.275 175.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.808 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.27 -34.52 59.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.631 -0.713 . . . . 0.28000000000000003 112.242 -176.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 97.3 mt -72.02 -34.54 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.447 0.641 . . . . 0.33000000000000002 109.441 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -68.64 -30.58 69.32 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.268 -0.878 . . . . 1.6699999999999999 109.976 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 81' ' ' ALA . . . -63.02 -39.5 94.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.998 0.427 . . . . 0.47999999999999998 110.634 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -70.51 -55.39 9.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.747 -0.661 . . . . 0.56999999999999995 112.162 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 83' ' ' LYS . 18.9 p-80 -86.11 -39.88 16.27 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.989 0.423 . . . . 2.6800000000000002 111.82 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.549 ' HB3' ' O ' ' A' ' 83' ' ' LYS . 35.9 t80 -89.82 22.64 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.535 0.734 . . . . 1.8 109.786 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -46.34 20.47 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.238 1.94 . . . . 3.2599999999999998 116.238 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.506 ' H ' ' C ' ' A' ' 87' ' ' TYR . 9.7 t -87.38 -8.85 56.13 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.368 -0.833 . . . . 1.26 111.259 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.59 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.2 t60 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 111.561 0.208 . . . . 3.4700000000000002 111.561 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.468 ' CD ' ' HB3' ' A' ' 43' ' ' ASN . 3.9 mp0 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.785 0.802 . . . . 3.1000000000000001 109.029 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.484 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 38.1 tt0 -60.93 -18.67 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.259 -1.337 . . . . 2.5099999999999998 111.774 -174.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 79.0 m-70 -66.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.327 -0.62 . . . . 2.1600000000000001 109.327 175.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.808 HD13 ' HB1' ' A' ' 81' ' ' ALA . 41.1 mt -64.89 -59.75 3.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.878 -1.055 . . . . 0.34000000000000002 111.285 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.13 -21.68 66.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 2.4100000000000001 110.749 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -69.91 -35.76 72.79 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.89 -0.671 . . . . 0.44 112.166 176.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.9 mm -66.93 -38.41 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.955 0.883 . . . . 1.1599999999999999 109.549 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 85' ' ' ALA . 97.2 t -69.34 -41.37 80.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.882 -1.054 . . . . 0.56999999999999995 111.802 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -80.08 -19.3 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.138 0.421 . . . . 1.4199999999999999 112.138 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 pt -79.59 -31.81 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 119.978 -0.689 . . . . 2.0600000000000001 110.137 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -69.11 -43.65 74.01 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 108.571 -0.899 . . . . 2.5800000000000001 108.571 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -57.9 -32.65 67.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.74 -1.118 . . . . 2.23 110.055 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.675 -0.693 . . . . 2.77 112.304 -173.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' B' ' 68' ' ' GLN . 77.9 mt . . . . . 0 C--O 1.224 -0.268 0 N-CA-C 109.076 -0.712 . . . . 2.9100000000000001 109.076 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.1 m -103.46 -172.69 2.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.845 0.683 . . . . 1.3500000000000001 112.845 -170.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 24.8 ttmt -75.69 -24.81 56.31 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.992 -0.549 . . . . 1.3200000000000001 111.555 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -58.38 14.88 Favored Glycine 0 N--CA 1.454 -0.117 0 C-N-CA 120.929 -0.653 . . . . 0.40000000000000002 113.137 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.21 -38.41 91.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.991 0.424 . . . . 2.4300000000000002 111.178 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 16.5 tp -55.09 -49.97 70.36 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.145 -0.934 . . . . 0.52000000000000002 109.421 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 61.0 tttm -56.17 -46.9 79.16 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.65 -1.159 . . . . 1.8700000000000001 111.365 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 1.3 mp0 -56.37 -59.95 4.22 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 110.215 -0.291 . . . . 2.4500000000000002 110.215 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.15 -50.53 37.18 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 123.746 0.654 . . . . 0.45000000000000001 110.827 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.647 HD21 HD11 ' B' ' 77' ' ' LEU . 94.8 mt -60.41 -49.76 76.28 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.042 -0.526 . . . . 0.45000000000000001 112.344 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.599 HG22 ' HA ' ' B' ' 49' ' ' LYS . 46.4 p -70.43 -27.86 64.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.062 0.393 . . . . 1.23 112.062 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.3 ptmm? -97.72 -31.32 12.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.58 0.585 . . . . 1.6200000000000001 112.58 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -101.07 -39.61 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 1.6699999999999999 111.246 -172.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.52 20.51 18.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.801 -0.444 . . . . 1.4199999999999999 109.801 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.84 -30.36 33.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.096 -0.956 . . . . 0.78000000000000003 112.766 -176.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.455 ' HB3' ' CD ' ' A' ' 5' ' ' GLU . 65.6 t30 -115.92 26.19 10.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.979 0.418 . . . . 2.1600000000000001 111.371 -173.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.403 HG21 ' CD1' ' A' ' 8' ' ' LEU . 2.9 m -118.87 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.236 0.541 . . . . 0.66000000000000003 110.358 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 44.4 mt -81.44 132.45 31.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.367 -0.833 . . . . 0.59999999999999998 109.97 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 1.9 pptp? -54.81 124.28 16.03 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 120.79 0.328 . . . . 1.6100000000000001 110.67 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 48.84 43.7 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.306 -0.861 . . . . 1.48 111.525 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -62.01 -9.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.939 0.876 . . . . 0.56000000000000005 110.206 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.599 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.5 OUTLIER -79.3 -13.01 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.9 -1.045 . . . . 1.1100000000000001 109.95 178.074 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.39 128.02 35.2 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.646 -0.706 . . . . 1.5900000000000001 111.122 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 21.6 tptp -64.48 -24.9 67.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.804 -1.089 . . . . 0.92000000000000004 110.629 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -32.86 63.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 0.67000000000000004 109.503 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.516 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -73.41 -44.39 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.182 -0.917 . . . . 0.59999999999999998 109.079 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.43 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 73.5 mt -64.38 -37.56 80.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.9 -1.046 . . . . 0.41999999999999998 111.398 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.633 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.3 OUTLIER -63.12 -44.17 96.36 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.27 -0.641 . . . . 1.53 109.27 -178.459 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -53.86 -45.36 70.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.658 -1.156 . . . . 1.77 111.297 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 41.9 mt -68.85 -56.95 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.546 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 2.6 t80 -49.06 -47.26 45.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.343 -0.844 . . . . 1.6699999999999999 111.113 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.79 -31.49 72.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.021 -0.536 . . . . 1.9099999999999999 111.064 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.18 -22.34 78.89 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.865 -0.683 . . . . 0.53000000000000003 112.304 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.2 OUTLIER -96.84 -44.45 7.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.715 -0.476 . . . . 0.58999999999999997 109.715 179.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -79.48 79.02 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.609 0.719 . . . . 1.3999999999999999 109.96 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.65 70.32 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 1.3100000000000001 111.467 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' B' ' 64' ' ' ASN . 11.1 m120 -87.58 -18.34 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.171 0.51 . . . . 2.7999999999999998 111.082 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 63.45 52.79 2.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 114.939 -1.028 . . . . 2.7200000000000002 111.756 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -109.06 8.76 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.167 0.508 . . . . 2.1400000000000001 110.243 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.567 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 23.1 tt0 64.99 42.76 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 2.0099999999999998 109.845 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 28' ' ' LEU . 23.1 mt-30 -138.36 116.77 11.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.224 -0.898 . . . . 2.1600000000000001 110.095 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.6 t -106.73 107.94 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.901 -0.59 . . . . 1.8100000000000001 110.182 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.405 ' HA ' HD13 ' B' ' 28' ' ' LEU . 31.0 t70 -70.9 168.1 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 2.02 110.4 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -58.21 -31.14 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.879 0.371 . . . . 2.1800000000000002 110.967 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.508 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.1 tt0 -74.08 -36.37 64.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.461 0.648 . . . . 1.6699999999999999 110.719 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.27 -29.14 57.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.501 0.667 . . . . 1.99 109.808 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' B' ' 78' ' ' VAL . 45.3 t80 -70.51 -23.89 62.73 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.53 -0.759 . . . . 1.9199999999999999 109.176 171.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.8 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.246 -0.888 . . . . 0.67000000000000004 109.556 175.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.59 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 1.5 p -69.54 -24.03 63.67 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.121 -0.49 . . . . 0.73999999999999999 110.323 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.647 HD11 HD21 ' B' ' 37' ' ' LEU . 8.1 tt -65.74 -41.66 91.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.446 -0.576 . . . . 1.1399999999999999 109.446 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.4 t -64.48 -28.16 44.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 115.625 -0.716 . . . . 0.33000000000000002 109.36 176.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.77 -51.82 67.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.127 0.489 . . . . 0.42999999999999999 110.043 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.537 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.81 -37.66 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.472 -0.785 . . . . 0.40000000000000002 110.267 175.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.828 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.18 -34.58 59.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.692 -0.686 . . . . 0.28000000000000003 112.265 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 97.4 mt -72.0 -34.53 68.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.433 0.635 . . . . 0.33000000000000002 109.507 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -68.69 -30.55 69.24 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.151 -0.931 . . . . 1.6699999999999999 109.953 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 81' ' ' ALA . . . -63.04 -39.48 94.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.119 0.485 . . . . 0.47999999999999998 110.66 175.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -70.42 -55.47 8.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.748 -0.66 . . . . 0.56999999999999995 112.196 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' B' ' 83' ' ' LYS . 18.7 p-80 -86.06 -40.2 15.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.995 0.426 . . . . 2.6800000000000002 111.779 -174.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' B' ' 83' ' ' LYS . 35.2 t80 -89.49 22.7 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.511 0.724 . . . . 1.8 109.917 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -46.48 20.54 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.274 1.953 . . . . 3.27 116.274 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 87' ' ' TYR . 9.0 t -87.4 -8.62 56.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 121.494 -0.754 . . . . 1.27 111.272 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.595 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 18.6 t60 . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 111.608 0.225 . . . . 3.4700000000000002 111.608 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.533 ' OE1' ' HB2' ' A' ' 7' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 121.297 0.57 . . . . 3.1000000000000001 110.71 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.65 -27.82 37.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.47 -0.786 . . . . 2.5099999999999998 111.259 -172.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.534 ' O ' HG13 ' A' ' 11' ' ' ILE . 47.7 m80 -80.02 -50.61 10.13 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.875 -0.417 . . . . 2.1600000000000001 109.875 -175.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.868 HD13 ' HB1' ' B' ' 81' ' ' ALA . 75.0 mt -53.39 -60.82 2.81 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.483 0.659 . . . . 0.34000000000000002 111.529 176.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -67.37 -22.43 65.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.065 -0.97 . . . . 2.4100000000000001 110.417 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.597 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -72.03 -39.0 59.49 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.714 -0.676 . . . . 0.44 111.844 175.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 7' ' ' HIS . 80.4 mt -66.65 -44.8 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.726 -0.472 . . . . 1.1599999999999999 109.726 177.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.694 HG21 ' HB3' ' B' ' 85' ' ' ALA . 39.4 t -50.05 -44.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.592 -0.731 . . . . 0.56999999999999995 111.026 169.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -63.89 -42.56 97.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 1.4199999999999999 111.071 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.1 mm -65.66 -36.44 77.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 121.008 0.432 . . . . 2.0600000000000001 110.534 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -58.49 -32.13 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.944 -0.571 . . . . 2.5699999999999998 110.317 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -85.62 -20.9 28.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 2.23 110.347 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 24.1 tp60 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 2.77 112.546 -171.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 121.268 0.556 . . . . 2.9100000000000001 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -97.9 -171.71 2.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.428 -0.351 . . . . 1.3500000000000001 111.062 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' CD ' ' HE3' ' A' ' 51' ' ' LYS . 24.8 ttmt -65.55 -25.78 67.58 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.77 -0.372 . . . . 1.3200000000000001 110.679 -176.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -52.43 50.89 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 120.981 -0.628 . . . . 0.40000000000000002 112.643 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.68 -42.76 81.6 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.105 0.479 . . . . 2.4399999999999999 111.139 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 21.0 tp -64.17 -46.04 85.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.483 -0.78 . . . . 0.52000000000000002 109.956 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HA ' HD13 ' A' ' 54' ' ' ILE . 15.4 tptp -52.76 -45.8 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 1.8700000000000001 110.883 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.653 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 54.8 tt0 -59.02 -60.93 3.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.821 -0.627 . . . . 2.46 110.381 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.463 HD11 HG22 ' A' ' 14' ' ' ILE . 10.3 tt -53.91 -45.05 71.05 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.347 0.405 . . . . 0.45000000000000001 111.384 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.0 mt -66.8 -50.32 63.0 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 112.417 0.525 . . . . 0.45000000000000001 112.417 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.1 t -64.78 -28.94 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.23 111.322 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.05 -41.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.676 0.621 . . . . 1.6100000000000001 112.676 -178.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 15.6 mm-40 -91.66 -39.15 12.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 1.6699999999999999 111.481 -168.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.13 21.31 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.033 0.444 . . . . 1.4199999999999999 110.04 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.404 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -50.28 -47.05 55.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.811 -1.086 . . . . 0.78000000000000003 113.226 -172.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -108.68 29.35 7.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.307 0.575 . . . . 2.1600000000000001 110.68 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.7 m -118.23 -56.24 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.66000000000000003 110.499 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.5 mt -90.33 136.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.854 -0.612 . . . . 0.59999999999999998 110.137 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.12 125.8 24.32 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.499 -0.319 . . . . 1.6100000000000001 110.887 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.467 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.9 OUTLIER 49.97 36.51 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 1.48 111.039 174.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.3 tp -63.35 -6.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 122.367 1.08 . . . . 0.55000000000000004 109.985 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 47' ' ' ASN . 12.6 mmmm -85.4 -12.87 51.04 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.345 -1.298 . . . . 1.1100000000000001 109.761 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -90.99 129.7 36.98 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.483 -0.78 . . . . 1.5800000000000001 110.177 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.9 -21.2 66.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.002 -0.545 . . . . 0.92000000000000004 110.562 176.672 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.87 -35.12 76.51 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.626 0.727 . . . . 0.67000000000000004 109.129 175.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 25.1 t -81.08 -44.53 20.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.524 -1.216 . . . . 0.59999999999999998 109.611 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 34' ' ' LYS . 38.9 mt -59.35 -32.48 48.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.448 -0.797 . . . . 0.41999999999999998 110.582 174.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.03 -46.66 73.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.377 -0.829 . . . . 1.53 109.529 175.202 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 36.3 mm-40 -52.73 -45.23 66.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.14 -0.936 . . . . 1.77 111.061 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.58 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.22 -60.12 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.803 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.441 ' CE1' HG13 ' A' ' 69' ' ' VAL . 89.9 t80 -57.7 -44.75 86.08 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.569 -0.741 . . . . 1.6799999999999999 110.994 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.03 -24.93 63.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 1.9199999999999999 110.672 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.65 -25.16 76.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.584 -0.817 . . . . 0.53000000000000003 111.828 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -97.12 -48.12 5.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.122 -0.696 . . . . 0.57999999999999996 109.122 178.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.534 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 47.2 t0 -75.85 76.82 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.923 -1.035 . . . . 1.3999999999999999 110.194 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.47 -19.18 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.423 -0.808 . . . . 1.3 110.597 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -81.57 -20.66 39.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.248 0.547 . . . . 2.7999999999999998 110.295 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 62.44 33.81 15.93 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 114.927 -1.033 . . . . 2.7200000000000002 111.439 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -102.37 2.04 36.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.32 0.581 . . . . 2.1299999999999999 110.265 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 30.8 tt0 69.67 41.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 2.02 111.04 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -145.16 117.72 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.643 -0.708 . . . . 2.1600000000000001 109.736 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG13 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -100.62 120.54 50.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.84 0.829 . . . . 1.8100000000000001 111.392 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.3 174.1 8.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 2.02 110.587 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.13 -33.95 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 2.1699999999999999 109.907 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 31.1 tt0 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.4 0.619 . . . . 1.6599999999999999 110.836 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.534 ' OE1' ' HA ' ' A' ' 62' ' ' ASP . 38.5 mt-10 -71.98 -38.3 69.73 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.616 -0.72 . . . . 1.99 110.12 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.44 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 77.2 t80 -63.31 -30.94 71.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 1.9199999999999999 109.974 171.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.8 mt -63.7 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.537 -0.756 . . . . 0.67000000000000004 109.12 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.627 ' O ' HD13 ' A' ' 80' ' ' ILE . 49.9 m -66.31 -34.06 77.14 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.074 -0.966 . . . . 0.73999999999999999 110.166 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.531 HD23 ' CG2' ' A' ' 57' ' ' ILE . 1.2 tm? -58.92 -45.42 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.426 -0.583 . . . . 1.1499999999999999 109.426 175.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 15.9 t -65.83 -29.64 47.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.182 -0.463 . . . . 0.33000000000000002 110.0 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.8 -51.1 70.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.054 -0.521 . . . . 0.42999999999999999 109.975 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.11 -35.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.367 -0.833 . . . . 0.40000000000000002 110.494 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.859 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -79.07 -34.52 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.755 -0.657 . . . . 0.28000000000000003 112.377 -174.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.0 mt -70.33 -37.31 74.67 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.783 -0.821 . . . . 0.33000000000000002 108.783 172.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.461 ' HD3' ' HB3' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -56.34 -37.83 70.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.301 -1.318 . . . . 1.6699999999999999 109.639 170.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.04 -31.46 66.19 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.208 -0.905 . . . . 0.47999999999999998 112.578 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.689 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.23 -55.92 4.07 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.764 -0.374 . . . . 0.56999999999999995 111.679 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.532 ' HB2' HG22 ' B' ' 12' ' ' VAL . 44.0 t-80 -86.63 -44.22 12.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.719 -0.392 . . . . 2.6800000000000002 111.809 -174.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.531 ' O ' HG22 ' A' ' 89' ' ' THR . 1.8 t80 -90.92 22.13 3.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.908 -0.404 . . . . 1.8 109.908 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -46.35 20.66 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 117.492 2.404 . . . . 3.2599999999999998 117.492 -173.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 87' ' ' TYR . 2.0 t -62.89 -45.53 92.08 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.21 0.914 . . . . 1.26 112.346 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.5 p80 . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.331 0.586 . . . . 3.4700000000000002 111.22 175.869 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.527 ' OE1' ' HB2' ' B' ' 7' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 121.481 0.658 . . . . 3.1000000000000001 110.739 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.8 -27.55 36.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.279 -0.873 . . . . 2.5099999999999998 111.274 -172.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.527 ' HB2' ' OE1' ' B' ' 5' ' ' GLU . 47.8 m80 -80.12 -50.63 10.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.86 -0.422 . . . . 2.1600000000000001 109.86 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.859 HD13 ' HB1' ' A' ' 81' ' ' ALA . 76.4 mt -53.52 -60.85 2.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.414 0.626 . . . . 0.34000000000000002 111.457 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -67.34 -22.6 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.054 -0.976 . . . . 2.4100000000000001 110.304 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.596 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -71.85 -39.06 60.16 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.63 -0.714 . . . . 0.44 111.927 174.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 7' ' ' HIS . 80.2 mt -66.64 -44.83 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.81 -0.441 . . . . 1.1599999999999999 109.81 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 85' ' ' ALA . 39.4 t -50.07 -44.73 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 0.56999999999999995 110.938 169.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.94 -42.63 97.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.812 -0.631 . . . . 1.4199999999999999 110.976 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.3 mm -65.47 -36.48 77.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.108 0.48 . . . . 2.0600000000000001 110.642 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.77 -31.75 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.577 . . . . 2.5800000000000001 110.314 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -85.74 -20.9 28.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.72 -0.673 . . . . 2.23 110.298 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.44 ' HB3' ' HA ' ' B' ' 14' ' ' ILE . 23.9 tp60 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 2.77 112.635 -171.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 28' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.289 0.566 . . . . 2.9100000000000001 111.188 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -97.32 -171.68 2.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.382 -0.372 . . . . 1.3500000000000001 111.146 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.485 ' CD ' ' HE3' ' B' ' 51' ' ' LYS . 25.0 ttmt -65.85 -25.52 67.24 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.71 -0.396 . . . . 1.3200000000000001 110.728 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.08 -52.35 51.89 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.901 -0.666 . . . . 0.40000000000000002 112.684 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.57 -42.87 81.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.163 -0.519 . . . . 2.4300000000000002 111.146 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.545 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 21.1 tp -64.19 -45.82 86.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.436 -0.802 . . . . 0.52000000000000002 109.948 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' B' ' 54' ' ' ILE . 15.3 tptp -53.01 -45.67 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.378 0.671 . . . . 1.8700000000000001 110.767 176.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 54.5 tt0 -59.22 -60.94 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 2.4500000000000002 110.25 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.465 HD11 HG22 ' B' ' 14' ' ' ILE . 10.3 tt -53.86 -44.93 70.77 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 123.405 0.441 . . . . 0.45000000000000001 111.389 -177.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.9 mt -66.98 -50.25 62.87 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 112.415 0.524 . . . . 0.45000000000000001 112.415 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 13.0 t -64.69 -29.12 70.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 1.23 111.257 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -96.96 -41.75 8.24 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.521 0.563 . . . . 1.6200000000000001 112.521 -178.449 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.436 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 17.8 mm-40 -91.6 -39.12 12.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 1.6699999999999999 111.441 -168.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -104.99 20.95 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.035 0.445 . . . . 1.4199999999999999 110.092 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.23 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.843 -1.071 . . . . 0.78000000000000003 113.17 -172.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.52 29.43 7.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.454 0.645 . . . . 2.1600000000000001 110.677 -174.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.1 m -118.18 -56.74 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.023 0.44 . . . . 0.66000000000000003 110.355 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.8 mt -89.78 136.51 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.935 -0.575 . . . . 0.59999999999999998 110.103 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 125.95 25.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.488 -0.324 . . . . 1.6100000000000001 110.924 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.479 ' HB2' HG21 ' B' ' 53' ' ' VAL . 0.9 OUTLIER 49.82 36.51 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.552 -0.749 . . . . 1.48 111.038 174.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.2 tp -63.22 -6.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 122.348 1.07 . . . . 0.56000000000000005 109.803 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' B' ' 47' ' ' ASN . 12.6 mmmm -85.53 -12.72 51.01 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.342 -1.299 . . . . 1.1100000000000001 109.63 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.03 129.54 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 1.5900000000000001 110.093 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -64.75 -21.21 66.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.051 -0.522 . . . . 0.92000000000000004 110.566 176.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.61 -35.28 77.11 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.59 0.709 . . . . 0.67000000000000004 109.243 175.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' B' ' 47' ' ' ASN . 25.1 t -81.09 -44.53 20.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.415 -1.266 . . . . 0.59999999999999998 109.6 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 34' ' ' LYS . 38.9 mt -59.39 -32.2 48.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.408 -0.814 . . . . 0.41999999999999998 110.625 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -67.33 -46.57 73.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.39 -0.823 . . . . 1.53 109.527 175.178 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 34.7 mm-40 -52.92 -45.43 67.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.181 -0.918 . . . . 1.77 110.916 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.572 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.91 -60.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.807 176.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.441 ' CE1' HG13 ' B' ' 69' ' ' VAL . 90.1 t80 -57.67 -44.9 86.07 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.682 -0.69 . . . . 1.6699999999999999 111.009 -172.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.98 -25.0 63.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.042 -0.527 . . . . 1.9099999999999999 110.644 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.64 -25.34 75.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.772 -0.728 . . . . 0.53000000000000003 111.841 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -96.87 -48.55 5.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.024 -0.732 . . . . 0.58999999999999997 109.024 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.524 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 48.5 t0 -75.59 77.24 2.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.046 -0.979 . . . . 1.3999999999999999 110.182 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -19.22 61.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.392 -0.822 . . . . 1.3100000000000001 110.47 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -81.58 -20.51 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 2.7999999999999998 110.271 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 62.35 33.77 16.17 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 114.9 -1.045 . . . . 2.7200000000000002 111.379 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -102.4 2.08 36.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.302 0.572 . . . . 2.1400000000000001 110.333 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 30.8 tt0 69.87 40.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.043 -0.981 . . . . 2.0099999999999998 111.113 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -144.61 117.67 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.681 -0.691 . . . . 2.1600000000000001 109.803 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.441 HG13 ' CE1' ' B' ' 58' ' ' PHE . 15.0 m -100.61 120.26 49.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.79 0.805 . . . . 1.8100000000000001 111.412 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.1 174.13 8.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.11 -0.95 . . . . 2.02 110.536 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -58.16 -33.92 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.87 -0.419 . . . . 2.1800000000000002 109.87 176.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.486 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 31.1 tt0 -66.84 -41.48 87.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.521 0.677 . . . . 1.6699999999999999 110.824 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.524 ' OE1' ' HA ' ' B' ' 62' ' ' ASP . 39.0 mt-10 -72.02 -38.4 69.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.698 -0.683 . . . . 1.99 110.199 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 77.3 t80 -63.19 -30.99 72.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.302 0.572 . . . . 1.9199999999999999 109.95 171.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.8 mt -63.73 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.718 . . . . 0.67000000000000004 109.22 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.626 ' O ' HD13 ' B' ' 80' ' ' ILE . 50.4 m -66.24 -33.86 76.72 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.118 -0.946 . . . . 0.73999999999999999 110.221 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.533 HD23 ' CG2' ' B' ' 57' ' ' ILE . 1.2 tm? -59.2 -45.25 91.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.45 -0.574 . . . . 1.1399999999999999 109.45 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 15.8 t -65.83 -29.74 47.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.208 -0.451 . . . . 0.33000000000000002 109.955 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.57 -51.2 70.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.164 0.507 . . . . 0.42999999999999999 110.036 173.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.14 -35.4 61.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.35 -0.841 . . . . 0.40000000000000002 110.439 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.868 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -79.09 -34.49 43.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.726 -0.67 . . . . 0.28000000000000003 112.378 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 76.5 mt -70.47 -37.17 74.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.805 -0.813 . . . . 0.33000000000000002 108.805 172.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.482 ' HD3' ' HB3' ' B' ' 87' ' ' TYR . 0.1 OUTLIER -56.36 -37.82 70.58 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.38 -1.282 . . . . 1.6699999999999999 109.711 170.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.76 66.44 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.173 -0.921 . . . . 0.47999999999999998 112.495 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.694 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -82.99 -56.14 3.97 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.734 -0.387 . . . . 0.56999999999999995 111.62 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.535 ' HB2' HG22 ' A' ' 12' ' ' VAL . 43.3 t-80 -86.31 -44.3 12.21 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.615 -0.434 . . . . 2.6800000000000002 111.768 -174.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.529 ' O ' HG22 ' B' ' 89' ' ' THR . 1.8 t80 -90.94 22.32 3.71 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.944 -0.391 . . . . 1.8 109.944 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -46.46 20.76 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 117.488 2.403 . . . . 3.27 117.488 -173.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.529 HG22 ' O ' ' B' ' 87' ' ' TYR . 2.1 t -63.11 -45.61 91.19 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.17 0.896 . . . . 1.27 112.399 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.5 p80 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 121.533 0.682 . . . . 3.4700000000000002 111.221 175.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.146 0 N-CA-C 112.184 0.439 . . . . 3.1000000000000001 112.184 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 14.5 tp10 -45.17 -40.15 6.87 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.321 0.489 . . . . 2.5099999999999998 112.321 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.3 m170 -68.63 -63.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.177 -0.327 . . . . 2.1600000000000001 110.89 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.843 HD13 ' HB1' ' B' ' 81' ' ' ALA . 57.3 mt -68.2 -59.74 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 0.34000000000000002 111.494 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -71.12 -20.97 62.26 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.489 -0.778 . . . . 2.4100000000000001 110.125 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -72.13 -33.75 61.95 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.795 -0.716 . . . . 0.44 112.132 174.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.4 mt -70.53 -34.13 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.867 0.841 . . . . 1.1599999999999999 109.575 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' B' ' 85' ' ' ALA . 70.0 t -72.65 -26.65 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.282 -0.872 . . . . 0.56999999999999995 109.894 174.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.385 -0.825 . . . . 1.4199999999999999 110.774 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.8 pt -63.96 -32.98 59.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.182 0.515 . . . . 2.0600000000000001 110.169 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 90.6 t80 -57.86 -37.66 74.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.035 -0.984 . . . . 2.5699999999999998 110.281 174.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -85.52 -19.85 30.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 2.23 111.568 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 111.732 0.271 . . . . 2.77 111.732 -179.392 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.224 -0.285 0 N-CA-C 109.772 -0.455 . . . . 2.9100000000000001 109.772 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 m -102.85 -179.29 3.92 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.524 -0.47 . . . . 1.3500000000000001 110.573 177.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.2 ttmp? -61.34 -35.51 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.672 0.249 . . . . 1.3200000000000001 111.672 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.45 -41.18 93.17 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.333 -0.46 . . . . 0.40000000000000002 112.839 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -68.53 -41.91 79.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.385 0.612 . . . . 2.4399999999999999 110.454 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.635 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.4 tp -64.19 -49.61 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.012 -0.995 . . . . 0.52000000000000002 109.513 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 51.7 tttm -54.89 -41.52 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.331 -0.849 . . . . 1.8700000000000001 111.185 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -54.9 -61.76 2.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.183 -0.462 . . . . 2.46 110.252 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -53.96 -46.25 71.58 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.099 0.476 . . . . 0.45000000000000001 110.945 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -60.31 -51.11 70.9 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.831 -0.622 . . . . 0.45000000000000001 112.357 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -67.58 -27.06 66.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.186 -0.461 . . . . 1.23 112.01 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -37.06 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.944 0.72 . . . . 1.6100000000000001 112.944 -177.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -96.25 -47.07 6.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.104 0.478 . . . . 1.6699999999999999 111.119 -172.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 8' ' ' LEU . 13.9 mt -100.11 21.54 12.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.777 -0.647 . . . . 1.4199999999999999 110.022 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.46 -30.82 42.71 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 114.996 -1.002 . . . . 0.78000000000000003 112.78 -175.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -119.01 21.38 12.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.306 0.574 . . . . 2.1600000000000001 110.722 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.542 HG21 HD12 ' B' ' 8' ' ' LEU . 20.9 m -111.44 -60.84 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.968 0.413 . . . . 0.66000000000000003 110.242 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 64.4 mt -85.77 138.89 18.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.501 -0.772 . . . . 0.59999999999999998 110.006 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' O ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -53.29 126.99 22.99 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.336 0.398 . . . . 1.6100000000000001 110.606 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 44.05 42.34 4.75 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.831 0.707 . . . . 1.48 111.647 174.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.523 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 8.9 tp -62.7 -5.9 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 122.097 0.951 . . . . 0.55000000000000004 110.697 -178.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.4 OUTLIER -86.0 -11.65 52.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.049 -0.978 . . . . 1.1100000000000001 109.853 178.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 130.9 34.45 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.449 -0.796 . . . . 1.5800000000000001 111.186 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 23.7 tptm -66.13 -27.07 67.75 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.987 -1.006 . . . . 0.92000000000000004 110.231 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -72.22 -35.17 68.8 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.498 0.666 . . . . 0.67000000000000004 109.357 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 46' ' ' LYS . 41.4 t -72.61 -43.82 61.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.843 -1.071 . . . . 0.59999999999999998 109.296 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 51.7 mt -65.21 -35.32 75.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.766 -1.106 . . . . 0.41999999999999998 110.979 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 17.6 t70 -61.36 -52.61 63.92 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.427 -0.953 . . . . 1.53 108.427 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 27.6 mm-40 -46.85 -47.93 21.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.749 -1.114 . . . . 1.77 111.617 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.9 mt -68.54 -59.85 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.197 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.497 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 75.7 t80 -55.03 -44.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.724 -0.671 . . . . 1.6799999999999999 111.166 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -65.79 -28.16 68.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.773 -0.649 . . . . 1.9199999999999999 110.38 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.86 -25.37 71.9 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.53000000000000003 112.379 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.38 -39.86 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.446 -0.576 . . . . 0.57999999999999996 109.446 178.658 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -76.46 67.01 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 1.3999999999999999 110.001 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.2 60.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 1.3 110.734 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.76 -9.96 59.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 2.7999999999999998 110.723 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 61.07 43.49 11.23 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.012 -0.994 . . . . 2.7200000000000002 112.216 172.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.97 -3.9 28.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.292 -0.413 . . . . 2.1299999999999999 110.601 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 3.9 tp10 65.64 30.79 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.194 -0.912 . . . . 2.02 108.647 -174.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.58 10.11 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.746 -1.116 . . . . 2.1600000000000001 109.954 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.476 HG13 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -96.31 135.05 31.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.451 0.643 . . . . 1.8100000000000001 110.814 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -96.24 -171.42 2.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 2.02 110.315 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.99 -40.29 97.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 2.1699999999999999 110.927 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.478 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 46.1 tt0 -77.95 -32.06 51.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 1.6599999999999999 111.11 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 76' ' ' SER . 3.7 mm-40 -69.05 -34.67 75.55 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.918 -0.771 . . . . 1.99 108.918 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 56.4 t80 -64.77 -29.34 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.398 -0.819 . . . . 1.9199999999999999 109.872 172.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.543 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.0 OUTLIER -66.67 -37.86 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.585 -0.734 . . . . 0.67000000000000004 109.289 174.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.62 ' O ' HD13 ' A' ' 80' ' ' ILE . 66.7 m -62.35 -37.31 85.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.474 -0.784 . . . . 0.73999999999999999 109.942 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.626 HD22 HD11 ' A' ' 33' ' ' LEU . 7.4 tp -54.5 -46.98 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.118 0.485 . . . . 1.1499999999999999 110.478 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.59 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.8 t -64.52 -30.7 50.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.455 -0.793 . . . . 0.33000000000000002 109.965 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.76 -49.01 79.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.398 0.618 . . . . 0.42999999999999999 109.937 174.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.75 -40.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.06 -0.973 . . . . 0.40000000000000002 110.4 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.86 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.41 -33.41 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 0.28000000000000003 112.326 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.8 mt -69.12 -34.04 74.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.907 -0.775 . . . . 0.33000000000000002 108.907 173.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 7.9 mttt -73.67 -19.65 60.77 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.024 -0.989 . . . . 1.6699999999999999 110.651 174.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 81' ' ' ALA . . . -72.04 -28.15 63.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.472 0.653 . . . . 0.47999999999999998 109.528 172.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.619 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -82.84 -56.11 4.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.387 -0.824 . . . . 0.56999999999999995 111.792 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.471 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 18.5 p80 -85.75 -44.6 12.37 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.48 -0.488 . . . . 2.6800000000000002 112.129 -175.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.45 ' C ' ' H ' ' A' ' 89' ' ' THR . 6.5 t80 -90.15 21.83 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.952 0.501 . . . . 1.8 109.745 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -48.97 18.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.479 2.029 . . . . 3.2599999999999998 116.479 -173.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.45 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.8 t -68.58 -41.93 78.97 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.692 0.678 . . . . 1.26 111.276 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 97.0 m-70 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.034 0.445 . . . . 3.4700000000000002 111.35 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.138 0 N-CA-C 112.228 0.455 . . . . 3.1000000000000001 112.228 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.477 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 14.4 tp10 -45.32 -40.17 7.45 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.282 0.475 . . . . 2.5099999999999998 112.282 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.468 ' O ' HG13 ' B' ' 11' ' ' ILE . 40.4 m170 -68.71 -63.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.968 -0.293 . . . . 2.1600000000000001 110.851 -177.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.86 HD13 ' HB1' ' A' ' 81' ' ' ALA . 56.9 mt -68.36 -59.61 3.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.41 0.624 . . . . 0.34000000000000002 111.487 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.12 -21.08 62.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.433 -0.803 . . . . 2.4100000000000001 110.112 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.477 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -72.04 -33.72 62.25 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.44 112.199 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.3 mt -70.5 -34.1 56.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.883 0.849 . . . . 1.1599999999999999 109.563 174.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 85' ' ' ALA . 70.9 t -72.88 -26.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.226 -0.897 . . . . 0.56999999999999995 109.832 174.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 1.4199999999999999 110.723 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 pt -63.78 -33.04 59.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.234 0.54 . . . . 2.0600000000000001 110.199 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' B' ' 12' ' ' VAL . 90.6 t80 -57.92 -37.68 74.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.966 -1.015 . . . . 2.5800000000000001 110.215 174.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -85.36 -19.83 30.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 2.23 111.587 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 . . . . . 0 C--N 1.327 -0.389 0 N-CA-C 111.876 0.325 . . . . 2.77 111.876 -179.47 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.458 ' N ' HD22 ' B' ' 28' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.223 -0.302 0 N-CA-C 109.82 -0.437 . . . . 2.9100000000000001 109.82 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -102.76 -179.5 3.98 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.504 -0.478 . . . . 1.3500000000000001 110.575 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.479 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.2 ttmp? -61.15 -35.63 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.723 0.268 . . . . 1.3200000000000001 111.723 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.2 -41.09 92.62 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.259 -0.496 . . . . 0.40000000000000002 113.018 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -68.76 -41.85 78.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.352 0.596 . . . . 2.4300000000000002 110.38 -177.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.646 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 36.5 tp -64.05 -49.79 70.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.078 -0.964 . . . . 0.52000000000000002 109.445 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.442 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 51.6 tttm -54.74 -41.38 70.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 1.8700000000000001 111.231 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -55.02 -61.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.497 . . . . 2.4500000000000002 110.261 175.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.404 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -53.91 -46.2 71.39 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.467 0.48 . . . . 0.45000000000000001 110.879 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.2 mt -60.41 -51.1 70.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.881 -0.6 . . . . 0.45000000000000001 112.276 -176.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.448 HG22 ' HA ' ' B' ' 49' ' ' LYS . 25.4 p -67.46 -27.12 66.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.197 -0.456 . . . . 1.23 112.049 -174.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 -36.7 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.922 0.712 . . . . 1.6200000000000001 112.922 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -96.35 -47.17 6.11 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.124 0.488 . . . . 1.6699999999999999 111.121 -172.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 8' ' ' LEU . 14.0 mt -100.13 21.45 12.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.781 -0.645 . . . . 1.4199999999999999 109.979 -173.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.514 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.35 -31.04 42.62 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.032 -0.986 . . . . 0.78000000000000003 112.8 -175.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -118.94 21.63 12.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.281 0.562 . . . . 2.1600000000000001 110.625 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.548 HG21 HD12 ' A' ' 8' ' ' LEU . 20.8 m -111.65 -60.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 0.66000000000000003 110.338 -179.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.486 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 64.0 mt -85.48 138.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.508 -0.769 . . . . 0.59999999999999998 110.081 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.479 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -53.05 126.76 21.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 123.292 0.37 . . . . 1.6100000000000001 110.656 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 44.2 42.59 5.18 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.999 0.812 . . . . 1.48 111.687 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.514 ' CG2' ' HA ' ' B' ' 42' ' ' ALA . 8.9 tp -63.11 -5.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 122.129 0.966 . . . . 0.56000000000000005 110.662 -177.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.448 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.4 OUTLIER -86.03 -11.52 52.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.876 -1.056 . . . . 1.1100000000000001 109.752 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.76 130.76 34.47 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.509 -0.768 . . . . 1.5900000000000001 111.134 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -66.11 -26.88 67.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.99 -1.004 . . . . 0.92000000000000004 110.225 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -72.63 -34.56 67.4 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.454 0.645 . . . . 0.67000000000000004 109.413 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.479 HG11 ' O ' ' B' ' 46' ' ' LYS . 41.0 t -73.0 -43.86 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.895 -1.048 . . . . 0.59999999999999998 109.211 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 51.5 mt -65.27 -35.4 75.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.624 -1.171 . . . . 0.41999999999999998 110.924 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 18.4 t70 -61.13 -52.81 63.31 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.394 -0.965 . . . . 1.53 108.394 177.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 29.6 mm-40 -46.67 -47.98 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.645 -1.162 . . . . 1.77 111.615 175.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 65.5 mt -68.54 -59.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.139 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.479 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 76.4 t80 -55.21 -44.7 75.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.652 -0.704 . . . . 1.6699999999999999 111.119 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -65.85 -28.15 68.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 1.9099999999999999 110.426 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.85 -25.2 72.37 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.53000000000000003 112.45 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.76 -39.57 10.68 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.403 -0.591 . . . . 0.58999999999999997 109.403 178.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -76.66 66.86 2.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.687 0.756 . . . . 1.3999999999999999 109.934 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.42 -23.52 61.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.73 . . . . 1.3100000000000001 110.658 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -9.41 59.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.612 -0.722 . . . . 2.7999999999999998 110.725 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 60.62 43.59 12.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.013 -0.994 . . . . 2.7200000000000002 112.217 172.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.03 -4.0 28.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 2.1400000000000001 110.646 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.411 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 3.9 tp10 65.91 30.49 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.606 -0.887 . . . . 2.0099999999999998 108.606 -174.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.4 10.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.736 -1.12 . . . . 2.1600000000000001 109.984 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.474 HG13 ' CE1' ' B' ' 58' ' ' PHE . 14.7 m -96.17 134.97 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.4 0.619 . . . . 1.8100000000000001 110.889 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -95.98 -171.38 2.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.488 -0.778 . . . . 2.02 110.404 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.22 -40.12 96.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.139 0.495 . . . . 2.1800000000000002 110.851 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.491 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 45.8 tt0 -78.0 -32.31 51.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.032 -0.531 . . . . 1.6699999999999999 111.104 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.908 -0.775 . . . . 1.99 108.908 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 56.6 t80 -64.72 -29.33 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 1.9199999999999999 109.88 172.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -66.62 -37.91 80.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.67000000000000004 109.276 174.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.617 ' O ' HD13 ' B' ' 80' ' ' ILE . 68.9 m -62.39 -37.35 85.43 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.393 -0.822 . . . . 0.73999999999999999 109.876 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.636 HD22 HD11 ' B' ' 33' ' ' LEU . 7.4 tp -54.57 -46.8 73.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.025 0.441 . . . . 1.1399999999999999 110.407 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.588 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 11.0 t -64.62 -30.83 51.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 115.561 -0.745 . . . . 0.33000000000000002 109.832 -177.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.7 -49.04 79.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.419 0.628 . . . . 0.42999999999999999 109.886 174.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.617 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.81 -40.03 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.11 -0.95 . . . . 0.40000000000000002 110.357 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.843 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.32 -33.59 55.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.889 -0.596 . . . . 0.28000000000000003 112.286 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.08 -34.06 74.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.722 0.772 . . . . 0.33000000000000002 108.928 173.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.543 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 7.7 mttt -73.54 -19.81 60.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.967 -1.015 . . . . 1.6699999999999999 110.63 173.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 81' ' ' ALA . . . -71.79 -28.55 63.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.516 0.674 . . . . 0.47999999999999998 109.55 172.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.623 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -82.68 -56.1 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.405 -0.816 . . . . 0.56999999999999995 111.683 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.475 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 17.9 p80 -85.68 -44.56 12.46 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.492 -0.483 . . . . 2.6800000000000002 112.176 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.463 ' C ' ' H ' ' B' ' 89' ' ' THR . 6.4 t80 -90.11 21.6 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.91 0.484 . . . . 1.8 109.738 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -48.66 18.73 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.677 2.103 . . . . 3.27 116.677 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.463 ' H ' ' C ' ' B' ' 87' ' ' TYR . 3.6 t -68.25 -42.43 79.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 118.709 0.686 . . . . 1.27 111.15 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 96.9 m-70 . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 120.823 0.344 . . . . 3.4700000000000002 111.427 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.733 0.301 . . . . 3.1000000000000001 110.854 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.11 -35.97 49.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.406 0.682 . . . . 2.5099999999999998 112.423 -173.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.493 ' O ' HG13 ' A' ' 11' ' ' ILE . 17.7 m170 -70.13 -62.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.0 -0.437 . . . . 2.1600000000000001 110.855 -177.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.895 HD13 ' HB1' ' B' ' 81' ' ' ALA . 37.2 mt -66.59 -58.14 5.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.117 0.484 . . . . 0.34000000000000002 111.586 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.37 -26.24 67.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.683 -0.689 . . . . 2.4100000000000001 110.084 -175.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.25 -34.67 54.46 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.202 -0.523 . . . . 0.44 112.633 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 7' ' ' HIS . 83.7 mt -70.32 -37.1 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.853 0.835 . . . . 1.1599999999999999 109.34 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' B' ' 85' ' ' ALA . 68.4 t -69.66 -26.64 31.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.288 -0.869 . . . . 0.56999999999999995 110.116 174.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.42 -41.82 72.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.421 -0.808 . . . . 1.4199999999999999 110.862 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.439 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 26.2 pt -69.85 -31.38 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.57 -0.452 . . . . 2.0600000000000001 110.677 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 42.1 t80 -59.31 -48.47 81.51 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.083 -0.71 . . . . 2.5699999999999998 109.083 170.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -62.81 -23.5 67.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.857 -1.065 . . . . 2.23 110.704 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 6.1 tp-100 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 2.77 111.039 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.382 0.61 . . . . 2.9100000000000001 112.171 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 p -97.7 -172.05 2.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.906 -1.043 . . . . 1.3500000000000001 111.526 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.608 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 16.4 ttmt -58.19 -36.75 73.55 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.027 0.38 . . . . 1.3200000000000001 112.027 -173.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.07 -40.69 91.8 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.011 -0.614 . . . . 0.40000000000000002 113.134 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.07 -36.72 64.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.123 0.487 . . . . 2.4399999999999999 110.817 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 30.1 tp -67.51 -44.07 79.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 0.52000000000000002 108.998 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.3 70.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.874 -1.057 . . . . 1.8700000000000001 110.484 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.4 tt0 -55.76 -60.11 3.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.76 -0.655 . . . . 2.46 110.193 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.7 tt -53.23 -46.42 69.11 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.061 0.458 . . . . 0.45000000000000001 111.07 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 92.1 mt -65.5 -48.22 73.31 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.237 0.458 . . . . 0.45000000000000001 112.237 -174.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 49' ' ' LYS . 35.9 p -68.14 -28.48 67.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.492 -0.322 . . . . 1.23 111.841 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.2 ptmt -97.08 -35.84 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.654 0.613 . . . . 1.6100000000000001 112.654 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 5.5 mm-40 -98.07 -38.02 9.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.791 0.329 . . . . 1.6699999999999999 111.733 -169.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.78 24.14 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.568 -0.53 . . . . 1.4199999999999999 109.568 -177.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.8 -29.75 29.37 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.059 -0.973 . . . . 0.78000000000000003 113.341 -173.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.0 31.93 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.144 0.497 . . . . 2.1600000000000001 111.224 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -118.98 -66.45 1.07 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.332 0.587 . . . . 0.66000000000000003 110.222 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 40.1 mt -76.94 132.74 32.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.237 -0.892 . . . . 0.59999999999999998 109.95 -177.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 126.75 24.09 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.269 0.356 . . . . 1.6100000000000001 110.732 -178.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 46.56 42.38 11.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.409 -0.814 . . . . 1.48 111.671 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.0 tp -62.63 -7.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.044 0.926 . . . . 0.55000000000000004 110.38 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.7 OUTLIER -84.51 -13.47 51.83 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.944 -1.025 . . . . 1.1100000000000001 109.97 178.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.63 131.41 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.567 -0.742 . . . . 1.5800000000000001 111.355 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.608 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -64.59 -29.18 70.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.667 -1.151 . . . . 0.92000000000000004 110.632 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.1 -33.02 73.74 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.636 0.731 . . . . 0.67000000000000004 109.36 177.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 57' ' ' ILE . 41.6 t -76.82 -47.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.639 -1.164 . . . . 0.59999999999999998 109.521 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 58.5 mt -60.63 -43.29 94.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.106 -0.952 . . . . 0.41999999999999998 111.896 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 13.7 t70 -60.96 -49.95 75.37 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.927 -0.579 . . . . 1.53 109.834 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.29 -46.22 24.81 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.41 -0.814 . . . . 1.77 111.331 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 53' ' ' VAL . 55.6 mt -72.43 -57.47 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.13 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 t80 -54.83 -44.84 74.26 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.795 -0.639 . . . . 1.6799999999999999 111.06 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -63.47 -29.43 70.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.01 -0.541 . . . . 1.9199999999999999 110.331 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.77 -31.57 76.15 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.796 -0.716 . . . . 0.53000000000000003 112.623 174.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -89.55 -38.87 13.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.87 -0.418 . . . . 0.57999999999999996 109.87 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.2 72.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.31 -0.859 . . . . 1.3999999999999999 110.186 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.01 70.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.947 -1.024 . . . . 1.3 111.468 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -74.27 -16.17 60.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 2.7999999999999998 110.939 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 64.25 28.15 13.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.21 -0.904 . . . . 2.7200000000000002 111.61 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -98.69 4.93 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 2.1299999999999999 109.853 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 62.69 50.51 3.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.981 -1.008 . . . . 2.02 109.53 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -137.91 119.6 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.5 -0.773 . . . . 2.1600000000000001 110.445 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.88 116.52 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.371 0.605 . . . . 1.8100000000000001 111.097 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.06 171.63 12.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 2.02 110.572 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -54.73 -43.64 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.437 . . . . 2.1699999999999999 110.734 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.529 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 30.4 tt0 -69.29 -35.58 76.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.635 0.731 . . . . 1.6599999999999999 110.629 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -77.0 -29.67 55.56 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.447 -0.797 . . . . 1.99 109.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' A' ' 78' ' ' VAL . 83.8 t80 -68.38 -29.5 68.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.219 -0.66 . . . . 1.9199999999999999 109.219 169.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.529 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.5 mt -64.79 -36.95 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.84 . . . . 0.67000000000000004 108.731 173.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.64 ' O ' HD13 ' A' ' 80' ' ' ILE . 32.2 m -66.71 -36.56 82.77 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.224 -0.898 . . . . 0.73999999999999999 109.754 174.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.9 tm? -57.53 -45.14 85.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.705 -0.48 . . . . 1.1499999999999999 109.705 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 74' ' ' PHE . 11.3 t -66.56 -30.26 49.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-N 116.182 -0.463 . . . . 0.33000000000000002 109.868 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.39 -49.21 77.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.333 0.587 . . . . 0.42999999999999999 110.114 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.64 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.08 -36.41 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.387 -0.824 . . . . 0.40000000000000002 110.271 176.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.887 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.31 -35.83 54.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.887 -0.597 . . . . 0.28000000000000003 111.991 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -69.49 -31.98 70.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.849 0.833 . . . . 0.33000000000000002 109.03 173.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HG2' ' NE2' ' A' ' 86' ' ' HIS . 8.7 mttt -75.25 -20.33 59.26 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.038 -0.983 . . . . 1.6699999999999999 110.563 173.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 81' ' ' ALA . . . -69.57 -31.76 70.12 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.502 0.668 . . . . 0.47999999999999998 109.533 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -80.01 -57.15 3.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.511 -0.768 . . . . 0.56999999999999995 111.554 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 3.2 p80 -82.33 -44.18 16.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.438 -0.505 . . . . 2.6800000000000002 111.673 -175.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.504 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.0 t80 -88.94 22.6 2.65 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 123.098 0.559 . . . . 1.8 109.812 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -48.54 18.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.798 1.777 . . . . 3.2599999999999998 115.798 -176.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.504 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.0 t -74.64 -38.95 62.36 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.524 -0.735 . . . . 1.26 110.778 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.0 m80 . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 120.94 0.4 . . . . 3.4700000000000002 111.556 -179.578 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.749 0.309 . . . . 3.1000000000000001 110.792 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.66 -35.93 55.98 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.752 -0.658 . . . . 2.5099999999999998 112.436 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.49 ' O ' HG13 ' B' ' 11' ' ' ILE . 17.7 m170 -70.16 -61.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.114 -0.366 . . . . 2.1600000000000001 110.876 -177.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.887 HD13 ' HB1' ' A' ' 81' ' ' ALA . 36.9 mt -66.73 -57.96 6.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.064 0.459 . . . . 0.34000000000000002 111.57 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.42 -26.19 67.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.799 -0.637 . . . . 2.4100000000000001 110.1 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -34.76 53.86 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.16 -0.543 . . . . 0.44 112.654 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.5 mt -70.12 -37.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.842 0.829 . . . . 1.1599999999999999 109.352 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 85' ' ' ALA . 69.4 t -69.82 -26.4 30.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.269 -0.878 . . . . 0.56999999999999995 110.12 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -70.67 -41.53 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.485 -0.78 . . . . 1.4199999999999999 110.867 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 26.3 pt -70.07 -31.4 47.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 120.564 -0.454 . . . . 2.0600000000000001 110.664 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.21 -48.5 81.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.147 -0.686 . . . . 2.5800000000000001 109.147 170.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -62.82 -23.04 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.864 -1.062 . . . . 2.23 110.744 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 6.1 tp-100 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 2.77 111.062 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.432 ' N ' HD22 ' B' ' 28' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.423 0.63 . . . . 2.9100000000000001 112.168 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -97.34 -172.04 2.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.006 -0.997 . . . . 1.3500000000000001 111.603 -176.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.603 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 16.3 ttmt -58.23 -36.51 73.28 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.102 0.408 . . . . 1.3200000000000001 112.102 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.42 -40.44 92.14 Favored Glycine 0 C--N 1.329 0.154 0 C-N-CA 120.869 -0.681 . . . . 0.40000000000000002 113.139 -177.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.99 -36.62 64.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.085 0.469 . . . . 2.4300000000000002 110.913 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 30.2 tp -67.44 -44.19 79.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.909 -0.775 . . . . 0.52000000000000002 108.909 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.27 70.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.812 -1.086 . . . . 1.8700000000000001 110.509 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 33.1 tt0 -55.54 -60.11 3.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.758 -0.655 . . . . 2.4500000000000002 110.203 175.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.405 HD23 ' C ' ' B' ' 36' ' ' LEU . 7.7 tt -53.35 -46.59 69.58 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.115 0.483 . . . . 0.45000000000000001 110.923 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 92.7 mt -65.35 -48.23 73.72 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 112.34 0.496 . . . . 0.45000000000000001 112.34 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.544 HG22 ' HA ' ' B' ' 49' ' ' LYS . 35.7 p -68.09 -28.47 67.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.475 -0.33 . . . . 1.23 111.796 -175.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.459 ' HG3' ' HG2' ' B' ' 40' ' ' GLU . 17.3 ptmt -97.11 -35.71 10.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.705 0.631 . . . . 1.6200000000000001 112.705 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.459 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 5.6 mm-40 -98.08 -38.31 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.674 0.273 . . . . 1.6699999999999999 111.623 -169.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.7 24.25 13.3 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.571 -0.529 . . . . 1.4199999999999999 109.571 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.63 -30.25 30.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.081 -0.963 . . . . 0.78000000000000003 113.373 -173.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -121.65 31.94 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.208 0.528 . . . . 2.1600000000000001 111.153 -173.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.4 m -119.14 -66.32 1.08 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.297 0.57 . . . . 0.66000000000000003 110.125 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 40.8 mt -76.9 133.05 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.296 -0.865 . . . . 0.59999999999999998 109.881 -177.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 126.37 22.97 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.168 0.292 . . . . 1.6100000000000001 110.725 -178.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 46.7 42.36 11.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.995 0.809 . . . . 1.48 111.615 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -62.53 -6.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.979 0.895 . . . . 0.56000000000000005 110.421 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.5 -13.77 50.98 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.965 -1.016 . . . . 1.1100000000000001 109.962 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.33 130.94 35.0 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.568 -0.742 . . . . 1.5900000000000001 111.401 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.603 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -64.42 -28.96 70.04 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.724 -1.125 . . . . 0.92000000000000004 110.72 178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.42 74.62 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.47 0.652 . . . . 0.67000000000000004 109.341 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.538 ' O ' HG13 ' B' ' 57' ' ' ILE . 41.5 t -76.57 -47.88 28.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.536 -1.211 . . . . 0.59999999999999998 109.504 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.48 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 58.5 mt -60.72 -43.43 95.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 0.41999999999999998 111.86 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' B' ' 30' ' ' LYS . 16.1 t70 -60.9 -49.79 76.05 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 116.058 -0.519 . . . . 1.53 109.726 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -47.3 -46.5 25.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.355 -0.838 . . . . 1.77 111.287 175.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 53' ' ' VAL . 55.3 mt -72.4 -57.22 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.155 -177.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.95 -44.69 74.56 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.843 -0.617 . . . . 1.6699999999999999 111.129 -177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -63.59 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.025 -0.534 . . . . 1.9099999999999999 110.364 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.86 -31.11 74.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.856 -0.688 . . . . 0.53000000000000003 112.503 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' B' ' 77' ' ' LEU . 0.1 OUTLIER -90.02 -38.8 13.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.083 0.441 . . . . 0.58999999999999997 109.811 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.4 73.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.922 0.867 . . . . 1.3999999999999999 110.143 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.02 -31.86 69.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 1.3100000000000001 111.539 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -74.01 -17.0 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.141 -0.482 . . . . 2.7999999999999998 110.884 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 64.83 27.97 12.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.304 -0.862 . . . . 2.7200000000000002 111.542 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -98.74 4.96 47.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 2.1400000000000001 109.784 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 62.74 50.48 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.944 -1.025 . . . . 2.0099999999999998 109.596 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -138.08 119.25 14.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 2.1600000000000001 110.421 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.43 116.47 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 1.8100000000000001 111.194 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.06 171.68 12.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 2.02 110.648 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -54.75 -43.69 72.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.988 0.423 . . . . 2.1800000000000002 110.715 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.52 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 30.8 tt0 -69.15 -35.73 76.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.784 0.802 . . . . 1.6699999999999999 110.583 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.93 -29.71 55.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.325 -0.852 . . . . 1.99 109.879 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' B' ' 78' ' ' VAL . 83.9 t80 -68.33 -29.66 68.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.18 -0.674 . . . . 1.9199999999999999 109.18 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.52 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.5 mt -64.59 -37.2 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.679 -0.86 . . . . 0.67000000000000004 108.679 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.633 ' O ' HD13 ' B' ' 80' ' ' ILE . 35.1 m -66.66 -36.33 82.28 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.191 -0.913 . . . . 0.73999999999999999 109.848 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.9 tm? -57.65 -45.13 85.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.708 -0.479 . . . . 1.1399999999999999 109.708 175.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 74' ' ' PHE . 11.5 t -66.65 -30.13 48.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 N-CA-C 109.774 -0.454 . . . . 0.33000000000000002 109.774 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.48 -49.08 78.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 0.42999999999999999 110.073 175.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.16 -36.51 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.382 -0.827 . . . . 0.40000000000000002 110.295 176.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.895 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.18 -35.92 55.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.849 -0.614 . . . . 0.28000000000000003 111.986 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.42 -32.04 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.803 0.811 . . . . 0.33000000000000002 109.015 173.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.598 ' HG2' ' NE2' ' B' ' 86' ' ' HIS . 8.8 mttt -75.37 -20.18 59.12 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.059 -0.973 . . . . 1.6699999999999999 110.631 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 81' ' ' ALA . . . -69.56 -31.85 70.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.262 0.553 . . . . 0.47999999999999998 109.603 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.601 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -79.9 -57.12 3.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.587 -0.733 . . . . 0.56999999999999995 111.501 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.598 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 2.9 p80 -82.22 -44.09 16.8 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.943 -0.473 . . . . 2.6800000000000002 111.771 -175.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . 0.506 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.5 t80 -89.21 22.56 2.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 123.208 0.603 . . . . 1.8 109.884 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -48.47 18.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.792 1.775 . . . . 3.27 115.792 -177.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.506 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.0 t -75.01 -38.37 61.56 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.39 -0.819 . . . . 1.27 110.913 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 3.4700000000000002 111.52 -179.736 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.876 0.369 . . . . 6.4199999999999999 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.5 m -76.86 115.28 16.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 4.25 111.365 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -121.36 7.0 10.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.02 -0.536 . . . . 6.0499999999999998 109.765 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 14.3 tp 58.77 -103.36 0.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.843 -1.071 . . . . 4.5 111.262 174.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.523 ' HG3' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -128.81 10.45 6.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.022 0.439 . . . . 3.1000000000000001 111.131 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 22.8 tt0 -65.13 -19.23 65.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.5099999999999998 110.471 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.8 -26.0 34.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.302 -0.408 . . . . 2.1600000000000001 111.111 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.769 HD13 ' HB1' ' B' ' 81' ' ' ALA . 77.4 mt -82.61 -61.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.924 -0.31 . . . . 0.34000000000000002 110.643 178.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.497 ' HG2' ' HB1' ' B' ' 85' ' ' ALA . 27.5 mt-10 -67.87 -21.62 65.15 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.433 -0.507 . . . . 2.4100000000000001 109.834 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.524 ' HA2' ' ND2' ' A' ' 13' ' ' ASN . . . -63.37 -53.86 36.28 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.517 -0.765 . . . . 0.44 112.172 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.14 -36.78 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.089 0.471 . . . . 1.1599999999999999 110.271 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.485 HG21 ' HB3' ' B' ' 85' ' ' ALA . 55.3 t -61.4 -50.0 82.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.608 -0.723 . . . . 0.56999999999999995 112.004 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.524 ' ND2' ' HA2' ' A' ' 10' ' ' GLY . 7.7 p30 -73.26 -23.6 60.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.177 -0.609 . . . . 1.4199999999999999 110.418 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.3 mt -63.74 -47.32 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 2.0600000000000001 110.164 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' HD2' ' CD2' ' A' ' 71' ' ' PHE . 28.8 t80 -62.27 -39.68 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.079 0.466 . . . . 2.5699999999999998 110.0 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -64.55 -26.26 68.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 2.23 111.104 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -86.7 -43.87 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 2.77 111.948 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.518 ' HB2' HD12 ' A' ' 36' ' ' LEU . 95.4 m-85 -86.9 -23.09 25.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.035 0.445 . . . . 6.25 110.491 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' A' ' 32' ' ' GLU . 19.2 m -114.21 85.11 2.16 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.509 0.671 . . . . 3.0099999999999998 109.297 175.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.22 -26.32 2.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.222 -0.899 . . . . 4.1299999999999999 111.154 -172.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -91.83 111.72 23.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.631 -0.428 . . . . 7.2800000000000002 110.785 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HG2' ' HA ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -139.97 -175.8 4.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.909 -0.587 . . . . 8.6999999999999993 110.827 178.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.17 -129.07 0.94 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.639 -0.791 . . . . 5.6699999999999999 112.52 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -79.87 -37.4 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.344 0.593 . . . . 8.2699999999999996 109.628 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -105.8 171.13 7.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.207 -0.906 . . . . 7.5 108.715 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' HA ' ' HG2' ' A' ' 22' ' ' LYS . 34.3 m-20 -76.06 73.38 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.893 0.378 . . . . 5.6200000000000001 110.316 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -66.16 -55.23 17.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.486 -0.779 . . . . 3.9399999999999999 110.594 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 59.0 mt 53.09 72.3 0.43 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.78 0.8 . . . . 2.9100000000000001 110.628 175.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 m -80.42 -171.72 3.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.156 -0.929 . . . . 1.3500000000000001 112.087 -174.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.2 -23.27 66.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 1.3200000000000001 111.773 -173.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.96 80.7 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.854 -0.689 . . . . 0.40000000000000002 112.653 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.541 ' HB3' ' HA ' ' A' ' 19' ' ' SER . 9.8 mm-40 -70.12 -39.73 75.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 2.4399999999999999 110.712 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.7 tp -64.0 -50.15 69.65 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.69 -0.687 . . . . 0.52000000000000002 110.199 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 54' ' ' ILE . 25.8 tptt -51.3 -43.88 61.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 1.8700000000000001 110.706 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -59.9 -58.56 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 2.46 110.544 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.518 HD12 ' HB2' ' A' ' 18' ' ' TYR . 9.0 tt -54.26 -45.85 72.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 120.991 0.424 . . . . 0.45000000000000001 110.732 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.8 mt -63.0 -50.65 69.89 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.613 0.597 . . . . 0.45000000000000001 112.613 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 11.2 t -67.74 -27.67 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.18 -0.208 . . . . 1.23 111.527 -174.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -97.37 -30.5 12.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.199 0.815 . . . . 1.6100000000000001 113.199 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 26.6 mm-40 -97.17 -49.49 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.427 0.632 . . . . 1.6699999999999999 110.864 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' B' ' 8' ' ' LEU . 7.8 mp -95.74 18.59 12.74 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.759 -0.655 . . . . 1.4199999999999999 111.29 -172.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.84 -25.79 21.26 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.323 0.861 . . . . 0.78000000000000003 113.323 -175.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -109.26 -2.86 17.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 2.1600000000000001 111.694 -174.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.7 -62.21 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.567 . . . . 0.66000000000000003 111.053 -170.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 45.4 mt -82.08 138.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.501 -0.772 . . . . 0.59999999999999998 110.196 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.83 123.05 14.42 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.185 -0.461 . . . . 1.6100000000000001 109.947 -178.007 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.495 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.7 m120 46.62 43.73 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 1.48 111.74 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.8 tp -62.43 -4.58 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.927 0.87 . . . . 0.55000000000000004 110.782 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -80.93 -24.07 38.43 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.402 -0.817 . . . . 1.1100000000000001 109.581 179.039 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.59 126.99 31.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.715 -1.129 . . . . 1.5800000000000001 111.087 -176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.38 -25.63 68.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.052 -0.976 . . . . 0.92000000000000004 110.06 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.37 -36.65 74.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.67000000000000004 109.463 176.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.8 t -72.74 -45.59 56.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.013 -0.994 . . . . 0.59999999999999998 109.212 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 34' ' ' LYS . 42.6 mt -65.02 -35.0 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.569 -1.196 . . . . 0.41999999999999998 111.386 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.9 t70 -62.7 -52.65 62.46 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.814 -0.81 . . . . 1.53 108.814 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 33.2 mm-40 -48.43 -46.45 37.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.524 -1.217 . . . . 1.77 111.616 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.522 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 73.5 mt -71.55 -51.65 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.29 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 69' ' ' VAL . 78.6 t80 -53.45 -46.97 70.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.916 -0.584 . . . . 1.6799999999999999 110.325 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 13.7 mm100 -65.89 -27.35 68.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.297 -0.865 . . . . 1.9199999999999999 110.371 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.79 -26.91 71.77 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.774 -0.648 . . . . 0.53000000000000003 112.2 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -91.18 -41.54 10.94 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.885 -0.783 . . . . 0.57999999999999996 108.885 178.331 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -81.2 70.69 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.945 -1.025 . . . . 1.3999999999999999 110.222 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.19 -16.3 63.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.331 -0.849 . . . . 1.3 109.341 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.74 -20.31 61.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.705 -1.134 . . . . 2.7999999999999998 110.201 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 58.64 39.07 24.98 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.162 -0.926 . . . . 2.7200000000000002 110.393 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -123.35 4.22 9.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 2.1299999999999999 110.816 -174.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.44 47.69 2.23 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.177 -0.92 . . . . 2.02 110.794 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.36 118.16 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 2.1600000000000001 111.131 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.487 HG23 ' CE1' ' A' ' 58' ' ' PHE . 34.6 t -107.3 107.43 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.489 0.661 . . . . 1.8100000000000001 110.473 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.23 174.85 11.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.255 -0.884 . . . . 2.02 109.161 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.425 ' CD2' ' HD2' ' A' ' 15' ' ' PHE . 51.1 m-85 -57.28 -31.09 65.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.392 . . . . 2.1699999999999999 109.943 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 75' ' ' ILE . 63.8 tt0 -72.93 -39.78 65.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.061 0.458 . . . . 1.6599999999999999 111.311 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -70.87 -30.86 67.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.67 0.748 . . . . 1.99 109.356 176.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 78' ' ' VAL . 74.7 t80 -72.53 -20.63 61.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 1.9199999999999999 109.581 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 72' ' ' GLN . 0.5 OUTLIER -66.93 -42.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.525 -0.762 . . . . 0.67000000000000004 109.114 176.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.6 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.4 p -68.79 -27.51 65.95 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.914 -0.584 . . . . 0.73999999999999999 110.424 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.7 tm? -61.13 -45.64 93.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.619 -0.511 . . . . 1.1499999999999999 109.619 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 74' ' ' PHE . 15.9 t -66.44 -26.12 36.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 116.154 -0.475 . . . . 0.33000000000000002 109.756 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -63.8 -44.9 91.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.243 0.544 . . . . 0.42999999999999999 110.04 173.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -63.94 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.446 -0.797 . . . . 0.40000000000000002 110.268 175.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.41 -42.74 43.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.249 -0.887 . . . . 0.28000000000000003 112.804 -172.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' HG ' HG12 ' A' ' 78' ' ' VAL . 96.3 mt -64.39 -34.4 78.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 0.33000000000000002 109.531 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 3.2 tmtp? -64.58 -44.66 89.96 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.257 -0.883 . . . . 1.6699999999999999 109.288 174.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.478 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -63.91 -20.57 65.95 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.878 -0.601 . . . . 0.47999999999999998 111.292 175.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB1' ' HG2' ' B' ' 9' ' ' GLU . . . -80.03 -55.56 4.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.707 0.262 . . . . 0.56999999999999995 111.707 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -80.21 -46.38 16.39 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.637 0.732 . . . . 2.6800000000000002 110.763 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.518 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.7 t80 -88.11 25.97 1.48 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.778 -1.101 . . . . 1.8 109.24 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 38.0 t-80 -45.31 6.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.924 1.69 . . . . 3.2599999999999998 114.795 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.9 t -66.38 -44.97 81.65 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.071 -0.714 . . . . 1.26 109.071 172.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 157.76 87.59 0.0 OUTLIER 'General case' 0 C--N 1.34 0.194 0 C-N-CA 125.083 1.353 . . . . 3.4700000000000002 108.93 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.469 ' HG3' ' HB3' ' A' ' 83' ' ' LYS . 0.9 OUTLIER -55.45 -34.93 64.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.335 -0.617 . . . . 3.4700000000000002 109.335 172.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.345 -0.843 . . . . 7.0899999999999999 110.943 175.49 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.928 0.394 . . . . 6.4199999999999999 110.709 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 93.2 m -76.87 115.92 17.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.514 . . . . 4.2599999999999998 111.12 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -121.85 6.82 9.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.018 -0.537 . . . . 6.04 109.752 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.518 ' HG ' ' HG3' ' B' ' 5' ' ' GLU . 14.3 tp 58.91 -103.55 0.18 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 114.918 -1.037 . . . . 4.5 111.185 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.518 ' HG3' ' HG ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -128.72 10.7 6.08 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.033 -0.417 . . . . 3.1000000000000001 111.103 -179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.446 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 23.7 tt0 -65.25 -19.28 65.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.702 -0.681 . . . . 2.5099999999999998 110.43 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -81.79 -25.9 34.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 2.1600000000000001 111.127 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.767 HD13 ' HB1' ' A' ' 81' ' ' ALA . 77.3 mt -82.74 -61.32 1.91 Allowed 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.915 -0.314 . . . . 0.34000000000000002 110.497 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.488 ' HG2' ' HB1' ' A' ' 85' ' ' ALA . 28.6 mt-10 -67.81 -21.8 65.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.492 -0.483 . . . . 2.4100000000000001 109.942 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.512 ' HA2' ' ND2' ' B' ' 13' ' ' ASN . . . -63.14 -54.21 34.46 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.538 -0.755 . . . . 0.44 112.227 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.77 -37.0 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.156 0.503 . . . . 1.1599999999999999 110.278 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 85' ' ' ALA . 54.9 t -61.43 -49.61 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 0.56999999999999995 112.141 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.512 ' ND2' ' HA2' ' B' ' 10' ' ' GLY . 7.8 p30 -73.71 -23.34 59.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.185 -0.606 . . . . 1.4199999999999999 110.263 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.8 mt -63.71 -47.4 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 2.0600000000000001 110.212 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.421 ' HD2' ' CD2' ' B' ' 71' ' ' PHE . 29.1 t80 -62.38 -39.81 94.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 2.5800000000000001 109.931 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -64.51 -26.08 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.822 -0.626 . . . . 2.23 111.143 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -86.63 -43.91 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 2.77 112.001 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.511 ' HB2' HD12 ' B' ' 36' ' ' LEU . 95.6 m-85 -86.97 -23.11 25.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 6.25 110.457 -175.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.558 ' HA ' ' HB3' ' B' ' 32' ' ' GLU . 19.2 m -114.09 85.21 2.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.562 0.696 . . . . 3.02 109.31 175.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.54 -25.79 3.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.183 -0.917 . . . . 4.1200000000000001 111.164 -172.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -92.21 111.78 23.47 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.595 -0.442 . . . . 7.2800000000000002 110.805 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' B' ' 26' ' ' ASP . 0.1 OUTLIER -140.23 -176.04 4.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 8.7100000000000009 110.796 179.083 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.84 -128.87 0.87 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.763 -0.732 . . . . 5.6799999999999997 112.606 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -80.48 -37.28 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.415 0.626 . . . . 8.2699999999999996 109.609 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -105.71 170.82 7.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.175 -0.92 . . . . 7.5 108.798 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.441 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 33.0 m-20 -75.86 73.42 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.03 0.443 . . . . 5.6200000000000001 110.365 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -66.07 -55.36 16.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.454 -0.794 . . . . 3.9500000000000002 110.587 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 69' ' ' VAL . 58.2 mt 53.38 72.38 0.44 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.754 0.788 . . . . 2.9100000000000001 110.61 175.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.5 m -80.56 -171.7 3.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.228 -0.896 . . . . 1.3500000000000001 112.076 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -62.21 -22.9 66.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 1.3200000000000001 111.796 -173.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.67 -48.83 82.72 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.827 -0.702 . . . . 0.40000000000000002 112.707 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.558 ' HB3' ' HA ' ' B' ' 19' ' ' SER . 10.6 mm-40 -70.33 -39.43 74.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.46 . . . . 2.4300000000000002 110.744 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -64.25 -50.21 68.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.663 -0.699 . . . . 0.52000000000000002 110.056 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' B' ' 54' ' ' ILE . 25.8 tptt -51.2 -43.78 61.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 1.8700000000000001 110.83 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -59.91 -58.47 8.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.962 -0.563 . . . . 2.4500000000000002 110.625 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' B' ' 18' ' ' TYR . 9.0 tt -54.38 -45.77 72.9 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.983 0.42 . . . . 0.45000000000000001 110.67 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.8 mt -63.12 -50.64 69.67 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.605 0.595 . . . . 0.45000000000000001 112.605 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 10.8 t -67.55 -28.07 67.48 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.16 -0.216 . . . . 1.23 111.512 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -97.18 -30.45 13.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.152 0.797 . . . . 1.6200000000000001 113.152 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 26.5 mm-40 -97.02 -49.67 4.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.438 0.637 . . . . 1.6699999999999999 110.927 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 8' ' ' LEU . 7.9 mp -95.86 18.63 12.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.748 -0.66 . . . . 1.4199999999999999 111.202 -172.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.89 -25.69 21.28 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.353 0.871 . . . . 0.78000000000000003 113.353 -175.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -109.51 -2.2 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.684 0.278 . . . . 2.1600000000000001 111.682 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.9 m -102.9 -62.64 1.25 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.336 0.588 . . . . 0.66000000000000003 110.946 -170.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 45.0 mt -81.79 138.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.516 -0.765 . . . . 0.59999999999999998 110.169 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.5 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -58.37 123.3 15.67 Favored 'General case' 0 CA--C 1.521 -0.164 0 O-C-N 123.44 0.463 . . . . 1.6100000000000001 109.915 -177.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.5 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 14.1 m120 46.64 43.75 12.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 123.838 0.711 . . . . 1.48 111.797 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.8 tp -62.69 -4.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.97 0.891 . . . . 0.56000000000000005 110.785 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -24.35 38.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.304 -0.862 . . . . 1.1100000000000001 109.486 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.37 127.05 31.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 114.763 -1.108 . . . . 1.5900000000000001 111.091 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -63.45 -25.46 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 0.92000000000000004 110.123 176.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.43 -36.54 74.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.412 -0.588 . . . . 0.67000000000000004 109.412 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.446 ' O ' HG13 ' B' ' 57' ' ' ILE . 22.3 t -72.88 -45.35 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 114.935 -1.029 . . . . 0.59999999999999998 109.168 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 34' ' ' LYS . 42.7 mt -65.17 -35.14 74.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.621 -1.172 . . . . 0.41999999999999998 111.394 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 15.3 t70 -62.8 -52.59 62.59 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.747 -0.835 . . . . 1.53 108.747 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -48.42 -46.18 37.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.553 -1.203 . . . . 1.77 111.746 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 74.2 mt -71.83 -51.75 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.203 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.503 ' CE1' HG23 ' B' ' 69' ' ' VAL . 78.9 t80 -53.34 -47.04 69.69 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.902 -0.59 . . . . 1.6699999999999999 110.356 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 13.3 mm100 -65.63 -27.6 68.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.237 -0.892 . . . . 1.9099999999999999 110.506 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.16 -27.76 71.34 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.766 -0.652 . . . . 0.53000000000000003 112.295 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.526 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.4 OUTLIER -90.74 -41.5 11.23 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.825 -0.806 . . . . 0.58999999999999997 108.825 178.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.22 70.82 8.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.982 -1.008 . . . . 1.3999999999999999 110.37 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.3 -15.8 62.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.22 -0.9 . . . . 1.3100000000000001 109.509 175.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -73.05 -20.29 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.115 . . . . 2.7999999999999998 110.287 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 58.2 39.99 25.3 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.036 -0.983 . . . . 2.7200000000000002 110.242 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.28 4.42 8.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 2.1400000000000001 110.791 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 65.41 47.77 2.23 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.297 -0.865 . . . . 2.0099999999999998 110.692 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -140.77 118.14 11.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 2.1600000000000001 111.162 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.503 HG23 ' CE1' ' B' ' 58' ' ' PHE . 34.8 t -107.18 107.32 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.536 0.684 . . . . 1.8100000000000001 110.581 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -79.13 174.82 11.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.336 -0.847 . . . . 2.02 109.06 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.421 ' CD2' ' HD2' ' B' ' 15' ' ' PHE . 50.7 m-85 -57.17 -31.01 64.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.874 0.369 . . . . 2.1800000000000002 110.083 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' B' ' 75' ' ' ILE . 63.9 tt0 -73.07 -39.76 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 1.6699999999999999 111.281 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.3 mm-40 -70.82 -30.9 67.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.608 0.718 . . . . 1.99 109.325 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.588 ' O ' HG23 ' B' ' 78' ' ' VAL . 74.8 t80 -72.51 -20.47 61.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.668 -0.696 . . . . 1.9199999999999999 109.64 173.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' B' ' 72' ' ' GLN . 0.5 OUTLIER -67.0 -41.99 88.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.484 -0.78 . . . . 0.67000000000000004 109.074 176.673 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.59 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.4 p -68.81 -27.46 65.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.94 -0.573 . . . . 0.73999999999999999 110.483 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.528 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.6 tm? -61.22 -45.67 93.6 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.578 -0.527 . . . . 1.1399999999999999 109.578 174.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.2 t -66.42 -26.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.133 -0.485 . . . . 0.33000000000000002 109.692 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -63.66 -44.97 92.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.347 0.594 . . . . 0.42999999999999999 110.147 173.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.59 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -63.98 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 0.40000000000000002 110.271 175.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.769 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.48 -42.72 42.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.297 -0.865 . . . . 0.28000000000000003 112.793 -172.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.468 ' HB2' HG12 ' A' ' 75' ' ' ILE . 96.3 mt -64.35 -34.49 78.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.388 0.613 . . . . 0.33000000000000002 109.451 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.467 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 3.3 tmtp? -64.43 -44.71 90.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.334 -0.848 . . . . 1.6699999999999999 109.36 174.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' B' ' 88' ' ' HIS . . . -64.01 -20.4 65.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.825 -0.625 . . . . 0.47999999999999998 111.28 175.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.497 ' HB1' ' HG2' ' A' ' 9' ' ' GLU . . . -79.98 -55.4 4.99 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.808 0.299 . . . . 0.56999999999999995 111.808 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -80.52 -46.35 15.97 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.496 0.665 . . . . 2.6800000000000002 110.718 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.524 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.6 t80 -88.11 26.12 1.45 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.757 -1.111 . . . . 1.8 109.194 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' B' ' 84' ' ' ALA . 37.6 t-80 -45.35 6.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.876 1.67 . . . . 3.27 114.72 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.524 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -65.93 -45.2 82.7 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.985 -0.746 . . . . 1.27 108.985 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 157.86 87.42 0.0 OUTLIER 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.987 1.315 . . . . 3.4700000000000002 108.933 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.467 ' HG3' ' HB3' ' B' ' 83' ' ' LYS . 0.9 OUTLIER -55.04 -35.42 64.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.37 -0.604 . . . . 3.4700000000000002 109.37 172.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.246 0.9 0 CA-C-N 115.242 -0.89 . . . . 7.0800000000000001 110.864 175.556 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HG3' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.693 0.283 . . . . 6.4199999999999999 111.008 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.9 m 61.57 -80.23 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.443 -0.799 . . . . 4.25 113.066 171.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -79.59 -40.43 29.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.673 -0.239 . . . . 6.0499999999999998 111.598 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt 56.28 -105.03 0.25 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.935 -0.575 . . . . 4.5 111.567 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.556 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 7.9 pt-20 -100.68 16.12 25.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 3.1000000000000001 111.5 -175.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.74 -34.61 39.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.61 0.719 . . . . 2.5099999999999998 110.626 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.8 m80 -79.46 -49.13 12.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.617 -0.72 . . . . 2.1600000000000001 110.34 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.692 HD13 ' HB1' ' B' ' 81' ' ' ALA . 78.0 mt -60.84 -60.44 3.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.101 -0.499 . . . . 0.34000000000000002 111.002 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -71.38 -23.01 61.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 2.4100000000000001 110.375 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.22 -38.22 96.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.502 -0.856 . . . . 0.44 111.877 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 7' ' ' HIS . 79.3 mt -72.34 -42.56 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.212 0.529 . . . . 1.1599999999999999 109.891 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 85' ' ' ALA . 52.7 t -58.79 -37.25 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.238 -0.892 . . . . 0.56999999999999995 110.756 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.578 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 32.8 t30 -61.9 -46.52 89.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 1.4199999999999999 110.704 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.9 mm -63.9 -34.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 2.0600000000000001 110.684 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.461 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 10.2 t80 -57.3 -45.49 84.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.634 0.73 . . . . 2.5699999999999998 109.413 173.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -68.11 -20.99 64.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.307 -0.86 . . . . 2.23 110.666 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 31.1 mm-40 -84.15 -41.54 16.93 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.717 1.006 . . . . 2.77 113.717 -174.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.604 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 12.4 p90 -66.28 -24.48 66.57 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.7 0.63 . . . . 6.25 112.7 -169.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -118.95 131.34 56.02 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.555 -0.458 . . . . 3.0099999999999998 110.7 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 22' ' ' LYS . 46.9 t -62.01 123.41 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 4.1299999999999999 109.588 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.65 -14.2 61.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.286 -0.415 . . . . 7.2800000000000002 110.959 -174.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.521 ' H ' HG12 ' A' ' 20' ' ' VAL . 75.3 mmtt -78.49 -9.22 59.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 8.6999999999999993 110.61 175.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.26 72.4 0.34 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.678 -0.772 . . . . 5.6699999999999999 112.98 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.439 ' HB2' ' H ' ' A' ' 20' ' ' VAL . 24.9 t-80 -79.74 -29.22 40.51 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.189 -0.671 . . . . 8.2699999999999996 109.189 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.456 ' HD2' ' O ' ' A' ' 27' ' ' THR . 15.3 t80 -160.84 151.63 18.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.94 -1.133 . . . . 7.5 107.94 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.75 -0.0 25.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.031 0.443 . . . . 5.6200000000000001 111.482 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.456 ' O ' ' HD2' ' A' ' 25' ' ' PHE . 23.4 m -156.23 146.15 21.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.518 -0.549 . . . . 3.9399999999999999 109.518 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.17 73.42 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.906 -0.776 . . . . 2.9100000000000001 108.906 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 m -97.27 -171.09 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.602 -0.726 . . . . 1.3500000000000001 112.134 -173.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -55.39 -36.84 66.82 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 112.744 0.646 . . . . 1.3200000000000001 112.744 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.91 -46.12 94.08 Favored Glycine 0 CA--C 1.512 -0.15 0 C-N-CA 120.701 -0.761 . . . . 0.40000000000000002 112.733 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.604 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 7.1 mm-40 -65.28 -41.04 94.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.351 0.596 . . . . 2.4399999999999999 110.462 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.719 HD11 HD22 ' A' ' 77' ' ' LEU . 19.0 tp -65.04 -49.94 68.16 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.998 . . . . 0.52000000000000002 109.682 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 77.6 tttt -52.99 -46.46 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.41 -0.814 . . . . 1.8700000000000001 110.843 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 26.4 tt0 -52.81 -62.08 1.88 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.73 -0.668 . . . . 2.46 110.182 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.417 HD12 ' HD2' ' A' ' 18' ' ' TYR . 8.7 tt -51.91 -49.52 62.88 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.191 0.52 . . . . 0.45000000000000001 110.881 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.5 mt -60.58 -51.08 70.92 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.912 0.708 . . . . 0.45000000000000001 112.912 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 25.3 p -67.61 -28.21 67.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.093 0.405 . . . . 1.23 112.093 -174.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.2 ptmm? -97.3 -32.41 11.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.887 0.699 . . . . 1.6100000000000001 112.887 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' OE2' ' HG3' ' B' ' 1' ' ' MET . 41.3 mm-40 -101.3 -46.8 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.91 0.386 . . . . 1.6699999999999999 111.397 -172.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 8' ' ' LEU . 18.6 mt -102.49 25.23 9.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.258 0.551 . . . . 1.4199999999999999 109.71 -176.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.52 ' HA ' HG21 ' A' ' 48' ' ' ILE . . . -53.98 -27.36 30.97 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.741 -1.118 . . . . 0.78000000000000003 112.803 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.77 -12.73 16.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.98 0.363 . . . . 2.1600000000000001 111.98 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.556 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.1 m -95.81 -62.89 1.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.515 0.674 . . . . 0.66000000000000003 110.915 -166.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.518 HG21 HD11 ' A' ' 57' ' ' ILE . 55.7 mt -78.4 135.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.92 -1.037 . . . . 0.59999999999999998 109.718 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.75 23.3 Favored 'General case' 0 CA--C 1.516 -0.343 0 O-C-N 123.354 0.408 . . . . 1.6100000000000001 110.287 -176.55 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 81.8 m-20 43.54 44.63 5.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.874 0.734 . . . . 1.48 112.004 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.52 HG21 ' HA ' ' A' ' 42' ' ' ALA . 9.1 tp -60.84 -5.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.973 0.892 . . . . 0.55000000000000004 110.85 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HA ' HG22 ' A' ' 38' ' ' THR . 11.4 mmmm -85.51 -15.41 42.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.971 -1.013 . . . . 1.1100000000000001 109.921 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.0 129.72 35.07 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.24 -0.891 . . . . 1.5800000000000001 110.922 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 23.6 tptm -63.6 -27.03 68.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.984 -1.007 . . . . 0.92000000000000004 110.269 177.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.48 -38.52 74.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.195 -0.669 . . . . 0.67000000000000004 109.195 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 57' ' ' ILE . 40.3 t -70.59 -44.06 77.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.679 -1.146 . . . . 0.59999999999999998 109.147 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 39.4 mt -64.47 -37.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 114.716 -1.129 . . . . 0.41999999999999998 111.394 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 12.6 t70 -63.78 -51.11 66.28 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.798 -0.816 . . . . 1.53 108.798 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -50.11 -44.56 52.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.935 -1.03 . . . . 1.77 111.668 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.586 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 69.5 mt -67.86 -58.02 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.241 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 69' ' ' VAL . 91.3 t80 -52.85 -46.38 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 1.6799999999999999 110.853 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 16.1 mm100 -68.12 -25.17 65.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.571 -0.74 . . . . 1.9199999999999999 110.617 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.63 -26.43 63.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.043 -0.598 . . . . 0.53000000000000003 112.264 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.615 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -91.44 -41.89 10.6 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.458 -0.571 . . . . 0.57999999999999996 109.458 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.34 74.77 1.01 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.431 -0.804 . . . . 1.3999999999999999 110.341 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.41 -16.68 61.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.004 -0.998 . . . . 1.3 110.053 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -74.26 -21.18 59.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.446 -0.797 . . . . 2.7999999999999998 109.999 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 60.4 27.63 17.23 Favored 'General case' 0 CA--C 1.524 -0.046 0 CA-C-N 114.995 -1.002 . . . . 2.7200000000000002 111.024 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -114.95 9.38 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 2.1299999999999999 110.301 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 44.1 mt-10 62.0 51.41 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.262 -0.881 . . . . 2.02 110.523 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.8 116.74 11.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 2.1600000000000001 111.325 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' CE1' ' A' ' 58' ' ' PHE . 56.0 t -97.6 115.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 1.8100000000000001 110.874 175.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -91.64 173.08 8.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.837 -0.801 . . . . 2.02 108.837 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -53.77 -38.46 64.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.427 0.558 . . . . 2.1699999999999999 110.391 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.641 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 20.7 tt0 -64.21 -43.65 94.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 1.6599999999999999 111.738 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.615 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.6 mm-40 -71.57 -36.06 70.78 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.493 0.663 . . . . 1.99 109.503 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.506 ' O ' HG23 ' A' ' 78' ' ' VAL . 49.8 t80 -64.56 -26.86 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.468 -0.787 . . . . 1.9199999999999999 109.556 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.73 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.7 OUTLIER -63.26 -40.57 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.195 -0.911 . . . . 0.67000000000000004 109.398 175.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD13 ' A' ' 80' ' ' ILE . 23.6 m -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.409 -0.814 . . . . 0.73999999999999999 109.876 174.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.719 HD22 HD11 ' A' ' 33' ' ' LEU . 15.5 tp -57.5 -45.91 84.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.621 0.248 . . . . 1.1499999999999999 110.697 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 74' ' ' PHE . 10.7 t -63.78 -32.29 56.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.644 -0.502 . . . . 0.33000000000000002 109.644 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.11 -49.33 78.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.444 0.64 . . . . 0.42999999999999999 109.683 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -43.63 83.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.124 -0.943 . . . . 0.40000000000000002 110.422 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.694 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.02 -29.43 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.39 -0.823 . . . . 0.28000000000000003 112.589 -173.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 84.5 mt -72.38 -39.25 68.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.956 0.407 . . . . 0.33000000000000002 110.103 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.718 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 27.9 mmmt -64.44 -38.1 89.86 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.033 -0.729 . . . . 1.6699999999999999 109.033 171.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -64.14 -22.25 66.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.392 -0.367 . . . . 0.47999999999999998 111.414 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.29 -53.46 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.953 0.353 . . . . 0.56999999999999995 111.953 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' A' ' 88' ' ' HIS . 43.6 t-80 -85.9 -44.74 12.15 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.275 0.559 . . . . 2.6800000000000002 110.742 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.547 ' C ' ' H ' ' A' ' 89' ' ' THR . 12.2 t80 -83.39 22.93 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.235 -0.893 . . . . 1.8 109.283 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 1.1 t60 -47.57 17.93 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.777 2.031 . . . . 3.2599999999999998 114.911 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.9 t -87.25 -44.81 11.17 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 p80 168.78 76.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.239 1.016 . . . . 3.4700000000000002 109.122 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HE2' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -59.51 -33.41 71.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.997 -0.547 . . . . 3.4700000000000002 109.979 178.114 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.523 ' O ' ' HE2' ' A' ' 91' ' ' LYS . 42.2 tt0 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 117.923 -1.036 . . . . 7.0899999999999999 111.786 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.497 ' HG3' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.67 0.271 . . . . 6.4199999999999999 111.053 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.9 m 61.59 -80.86 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.547 -0.751 . . . . 4.2599999999999998 112.977 171.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -79.17 -40.15 31.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.595 -0.275 . . . . 6.04 111.602 -172.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 92.9 mt 56.01 -104.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 4.5 111.514 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.556 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 7.9 pt-20 -100.79 16.14 26.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 3.1000000000000001 111.482 -175.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -51.61 -34.74 38.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 2.5099999999999998 110.761 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.441 ' O ' HG13 ' B' ' 11' ' ' ILE . 38.7 m80 -79.23 -49.18 12.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.574 -0.739 . . . . 2.1600000000000001 110.408 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.694 HD13 ' HB1' ' A' ' 81' ' ' ALA . 78.3 mt -61.08 -60.26 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.559 0.537 . . . . 0.34000000000000002 110.968 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.52 -22.88 61.72 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.904 -0.589 . . . . 2.4100000000000001 110.457 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.597 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.23 -38.24 96.16 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.674 -0.774 . . . . 0.44 111.739 175.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 7' ' ' HIS . 79.2 mt -72.43 -42.56 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.171 0.51 . . . . 1.1599999999999999 109.876 177.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 85' ' ' ALA . 52.2 t -58.69 -37.33 65.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 0.56999999999999995 110.818 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 32.5 t30 -61.74 -46.61 88.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.4199999999999999 110.662 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -63.97 -34.11 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 2.0600000000000001 110.609 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.466 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 10.3 t80 -57.43 -45.12 85.02 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.535 0.683 . . . . 2.5800000000000001 109.461 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.33 -21.09 64.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.322 -0.854 . . . . 2.23 110.686 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 30.9 mm-40 -83.94 -42.09 16.67 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.572 0.953 . . . . 2.77 113.572 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.621 ' CE1' ' HB3' ' B' ' 32' ' ' GLU . 12.4 p90 -65.66 -25.0 67.15 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.716 0.636 . . . . 6.25 112.716 -168.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -118.45 131.59 56.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.463 -0.495 . . . . 3.02 110.588 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.529 HG12 ' H ' ' B' ' 22' ' ' LYS . 46.3 t -62.14 123.48 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 4.1200000000000001 109.672 173.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' B' ' 21' ' ' ARG . 0.6 OUTLIER -72.54 -14.15 61.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.243 -0.435 . . . . 7.2800000000000002 111.062 -174.595 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.529 ' H ' HG12 ' B' ' 20' ' ' VAL . 75.2 mmtt -78.53 -9.2 59.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.06 -0.518 . . . . 8.7100000000000009 110.6 174.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.2 72.29 0.34 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.628 -0.796 . . . . 5.6799999999999997 112.965 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.449 ' HB2' ' H ' ' B' ' 20' ' ' VAL . 24.9 t-80 -79.71 -28.57 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.462 0.648 . . . . 8.2699999999999996 109.316 173.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.449 ' HD2' ' O ' ' B' ' 27' ' ' THR . 15.7 t80 -161.51 151.65 17.25 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 107.74 -1.207 . . . . 7.5 107.74 175.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.09 0.06 26.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.854 0.359 . . . . 5.6200000000000001 111.3 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.449 ' O ' ' HD2' ' B' ' 25' ' ' PHE . 23.7 m -155.92 146.36 21.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.517 -0.549 . . . . 3.9500000000000002 109.517 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.31 73.48 7.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.927 -0.768 . . . . 2.9100000000000001 108.927 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.6 m -97.26 -171.09 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.623 -0.717 . . . . 1.3500000000000001 112.15 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -55.42 -37.01 67.11 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.737 0.643 . . . . 1.3200000000000001 112.737 -169.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -46.78 92.52 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.687 -0.768 . . . . 0.40000000000000002 112.695 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.621 ' HB3' ' CE1' ' B' ' 18' ' ' TYR . 7.3 mm-40 -64.89 -41.17 95.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.394 0.616 . . . . 2.4300000000000002 110.464 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.742 HD11 HD22 ' B' ' 77' ' ' LEU . 19.1 tp -65.0 -49.94 68.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.961 -1.018 . . . . 0.52000000000000002 109.697 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 77.6 tttt -52.79 -46.66 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 1.8700000000000001 110.824 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 25.9 tt0 -52.8 -61.9 1.99 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.661 -0.699 . . . . 2.4500000000000002 110.218 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.403 HD12 ' HD2' ' B' ' 18' ' ' TYR . 8.6 tt -52.1 -49.45 63.57 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.122 0.487 . . . . 0.45000000000000001 110.861 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.5 mt -60.55 -51.07 71.01 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.888 0.699 . . . . 0.45000000000000001 112.888 -174.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 25.2 p -67.71 -28.09 67.37 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.96 0.356 . . . . 1.23 111.96 -174.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.2 ptmm? -97.35 -32.42 11.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.967 0.729 . . . . 1.6200000000000001 112.967 -177.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.476 ' OE2' ' HG3' ' A' ' 1' ' ' MET . 41.4 mm-40 -101.19 -46.81 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.429 . . . . 1.6699999999999999 111.409 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.504 HD22 HD11 ' A' ' 8' ' ' LEU . 18.6 mt -102.4 25.29 9.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.323 0.582 . . . . 1.4199999999999999 109.709 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.537 ' HA ' HG21 ' B' ' 48' ' ' ILE . . . -54.24 -27.16 32.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.752 -1.113 . . . . 0.78000000000000003 112.741 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -103.89 -12.7 16.72 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.91 0.337 . . . . 2.1600000000000001 111.91 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.556 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.1 m -95.55 -63.11 1.19 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.52 0.676 . . . . 0.66000000000000003 110.988 -166.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.535 HG21 HD11 ' B' ' 57' ' ' ILE . 56.0 mt -78.48 135.27 26.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.873 -1.058 . . . . 0.59999999999999998 109.615 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.34 125.76 23.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 123.34 0.4 . . . . 1.6100000000000001 110.35 -176.581 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.458 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 80.2 m-20 43.64 44.77 5.52 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.996 0.81 . . . . 1.48 111.798 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.537 HG21 ' HA ' ' B' ' 42' ' ' ALA . 9.1 tp -60.91 -5.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.994 0.902 . . . . 0.56000000000000005 110.763 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' B' ' 47' ' ' ASN . 11.4 mmmm -85.72 -15.5 42.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.98 -1.009 . . . . 1.1100000000000001 109.777 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.02 129.8 35.07 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.306 -0.861 . . . . 1.5900000000000001 110.848 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.39 -27.22 69.16 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.954 -1.021 . . . . 0.92000000000000004 110.239 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.59 74.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.166 -0.679 . . . . 0.67000000000000004 109.166 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.46 ' O ' HG13 ' B' ' 57' ' ' ILE . 40.7 t -70.34 -44.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.74 -1.118 . . . . 0.59999999999999998 109.169 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 39.8 mt -64.41 -37.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.694 -1.139 . . . . 0.41999999999999998 111.395 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 11.9 t70 -63.94 -51.02 66.37 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.711 -0.848 . . . . 1.53 108.711 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -50.1 -44.7 52.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.878 -1.055 . . . . 1.77 111.655 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 69.8 mt -67.78 -58.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.17 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' B' ' 69' ' ' VAL . 91.2 t80 -52.67 -46.51 67.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 1.6699999999999999 110.799 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.6 mm100 -68.14 -24.69 65.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 1.9099999999999999 110.734 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.59 -25.41 63.06 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.978 -0.629 . . . . 0.53000000000000003 112.274 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.607 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -92.11 -41.55 10.42 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.518 -0.549 . . . . 0.58999999999999997 109.518 179.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.62 75.27 1.09 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.93 0.871 . . . . 1.3999999999999999 110.381 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.8 -16.72 61.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.919 -1.037 . . . . 1.3100000000000001 110.117 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.01 -21.3 60.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.341 -0.845 . . . . 2.7999999999999998 110.032 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 60.4 27.42 17.01 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 114.965 -1.016 . . . . 2.7200000000000002 110.985 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -114.78 9.67 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 2.1400000000000001 110.36 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.401 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 44.9 mt-10 61.95 51.03 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.376 -0.829 . . . . 2.0099999999999998 110.66 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.48 117.21 11.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 2.1600000000000001 111.146 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.46 HG23 ' CE1' ' B' ' 58' ' ' PHE . 55.4 t -97.88 115.74 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.853 -0.612 . . . . 1.8100000000000001 110.99 175.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.77 172.95 8.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.774 -0.824 . . . . 2.02 108.774 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -53.56 -38.49 63.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.396 0.543 . . . . 2.1800000000000002 110.358 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.639 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 20.4 tt0 -64.24 -43.53 94.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.952 -0.567 . . . . 1.6699999999999999 111.747 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.6 mm-40 -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.499 0.666 . . . . 1.99 109.519 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.506 ' O ' HG23 ' B' ' 78' ' ' VAL . 49.9 t80 -64.69 -26.54 68.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.509 -0.769 . . . . 1.9199999999999999 109.587 173.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.718 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -63.61 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.155 -0.93 . . . . 0.67000000000000004 109.259 175.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.54 ' O ' HD13 ' B' ' 80' ' ' ILE . 23.3 m -59.83 -39.92 86.74 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.446 -0.797 . . . . 0.73999999999999999 109.846 174.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.742 HD22 HD11 ' B' ' 33' ' ' LEU . 15.6 tp -57.55 -46.03 84.39 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.714 0.293 . . . . 1.1399999999999999 110.738 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 74' ' ' PHE . 10.6 t -63.54 -32.43 56.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.655 -0.498 . . . . 0.33000000000000002 109.655 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.82 -49.74 76.51 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.522 0.677 . . . . 0.42999999999999999 109.727 174.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.27 -43.78 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.012 -0.995 . . . . 0.40000000000000002 110.455 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.88 -29.46 58.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.408 -0.814 . . . . 0.28000000000000003 112.645 -173.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 84.4 mt -72.5 -39.18 67.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.932 0.396 . . . . 0.33000000000000002 110.155 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.73 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 27.8 mmmt -64.43 -38.07 89.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.999 -0.741 . . . . 1.6699999999999999 108.999 170.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -64.23 -22.28 66.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.366 -0.379 . . . . 0.47999999999999998 111.453 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.28 -53.83 6.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.833 0.309 . . . . 0.56999999999999995 111.833 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' B' ' 88' ' ' HIS . 43.1 t-80 -85.7 -44.4 12.58 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.26 0.552 . . . . 2.6800000000000002 110.772 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.564 ' C ' ' H ' ' B' ' 89' ' ' THR . 12.1 t80 -83.56 22.78 1.02 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.216 -0.902 . . . . 1.8 109.327 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' B' ' 86' ' ' HIS . 1.1 t60 -47.56 18.08 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.752 2.021 . . . . 3.27 114.917 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.564 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.2 t -87.33 -44.76 11.16 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.228 -0.656 . . . . 1.27 109.228 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 p80 168.76 76.25 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 124.342 1.057 . . . . 3.4700000000000002 109.152 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.495 ' HE2' ' O ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -59.67 -33.46 71.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.03 -0.532 . . . . 3.4700000000000002 109.912 178.187 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.495 ' O ' ' HE2' ' B' ' 91' ' ' LYS . 42.5 tt0 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 117.881 -1.057 . . . . 7.0800000000000001 111.971 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.025 -0.361 . . . . 6.4199999999999999 110.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.403 HG21 HG12 ' B' ' 14' ' ' ILE . 3.0 m 62.74 -82.97 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.606 0.762 . . . . 4.25 112.375 175.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.83 4.14 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.309 0.576 . . . . 6.0499999999999998 109.962 -177.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt 57.55 -145.76 0.58 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.398 -0.819 . . . . 4.5 111.356 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -83.62 -3.15 57.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.476 -0.14 . . . . 3.1000000000000001 110.978 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 11.1 tp10 -53.84 -28.54 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.521 0.513 . . . . 2.5099999999999998 112.326 -174.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.458 ' HD2' ' H ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -72.63 -42.76 64.07 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.193 -0.603 . . . . 2.1600000000000001 111.878 178.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.554 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 97.6 mt -81.01 -58.1 3.23 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.486 0.66 . . . . 0.34000000000000002 110.008 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.26 -26.66 65.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.971 -1.013 . . . . 2.4100000000000001 110.006 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -68.86 -44.65 67.8 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.44 111.684 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.625 HG21 HG21 ' A' ' 78' ' ' VAL . 5.4 mm -54.53 -47.93 70.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.523 0.678 . . . . 1.1599999999999999 109.941 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.401 HG13 ' ND1' ' B' ' 86' ' ' HIS . 73.7 t -62.11 -40.94 89.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 0.56999999999999995 111.516 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -73.94 -27.83 61.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 1.4199999999999999 111.0 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 10' ' ' GLY . 51.1 mt -74.73 -35.35 36.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 120.818 0.342 . . . . 2.0600000000000001 110.746 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.629 -0.878 . . . . 2.5699999999999998 108.629 172.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -67.14 -21.64 65.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.051 -0.977 . . . . 2.23 111.022 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 57.8 tp60 -68.38 -49.66 58.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.507 -0.315 . . . . 2.77 110.777 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 35' ' ' GLN . 63.1 t80 -86.85 -46.04 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.946 -0.702 . . . . 6.25 111.174 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 t -72.89 134.98 45.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 3.0099999999999998 110.363 -177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -88.2 134.23 28.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.059 -0.519 . . . . 4.1299999999999999 110.593 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -75.1 84.2 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.297 0.57 . . . . 7.2800000000000002 110.2 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -83.22 -56.52 3.73 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.144 -0.687 . . . . 8.6999999999999993 109.144 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.73 -105.47 0.46 Allowed Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.834 -0.621 . . . . 5.6699999999999999 111.971 176.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -125.46 -70.87 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.744 0.306 . . . . 8.2699999999999996 110.466 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -129.72 56.32 1.73 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.139 0.495 . . . . 7.5 110.118 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.72 -55.75 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.674 -0.694 . . . . 5.6200000000000001 110.552 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 m -134.64 -77.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.401 -0.363 . . . . 3.9399999999999999 110.961 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt 55.2 68.54 0.85 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.472 0.483 . . . . 2.9100000000000001 110.722 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -101.23 -172.75 2.22 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.496 0.554 . . . . 1.3500000000000001 112.496 -172.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.06 -29.16 70.11 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.564 -0.289 . . . . 1.3200000000000001 111.144 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.4 -46.83 86.5 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.263 -0.494 . . . . 0.40000000000000002 113.075 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 6.3 mm-40 -64.26 -46.07 85.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.334 0.588 . . . . 2.4399999999999999 110.33 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.671 HD11 ' HG ' ' A' ' 77' ' ' LEU . 33.0 tp -64.55 -42.42 95.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.069 -0.969 . . . . 0.52000000000000002 110.44 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HA ' HD13 ' A' ' 54' ' ' ILE . 81.1 tttt -55.44 -46.61 76.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.511 . . . . 1.8700000000000001 110.738 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.6 mp0 -59.68 -57.56 12.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 2.46 110.529 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.46 -46.48 63.08 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 121.187 0.518 . . . . 0.45000000000000001 110.67 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.547 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 96.0 mt -65.43 -48.73 71.74 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 112.096 0.406 . . . . 0.45000000000000001 112.096 -176.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -66.93 -30.84 71.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.799 0.333 . . . . 1.23 111.823 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.1 OUTLIER -97.43 -33.11 11.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.919 0.711 . . . . 1.6100000000000001 112.919 -177.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.65 -32.55 11.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.1 -0.24 . . . . 1.6699999999999999 111.539 -170.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' B' ' 8' ' ' LEU . 18.5 mt -120.2 25.51 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.153 0.502 . . . . 1.4199999999999999 109.872 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -49.77 -42.41 46.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.822 -1.081 . . . . 0.78000000000000003 113.317 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -105.82 14.04 28.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.841 0.353 . . . . 2.1600000000000001 111.423 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.47 -58.4 1.88 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.478 0.656 . . . . 0.66000000000000003 110.104 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.0 mt -86.15 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.946 -1.024 . . . . 0.59999999999999998 109.947 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.527 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -57.72 124.37 18.88 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 110.187 -0.301 . . . . 1.6100000000000001 110.187 -178.683 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.527 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.0 m120 45.63 43.98 9.81 Favored 'General case' 0 CA--C 1.519 -0.227 0 O-C-N 123.815 0.697 . . . . 1.48 111.945 176.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -64.1 -6.4 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.038 0.923 . . . . 0.55000000000000004 110.581 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.6 OUTLIER -84.16 -10.84 57.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.936 -1.029 . . . . 1.1100000000000001 109.932 178.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.41 127.98 37.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.171 -0.922 . . . . 1.5800000000000001 110.685 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -23.82 65.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.562 -0.745 . . . . 0.92000000000000004 110.457 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -35.31 76.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.124 -0.695 . . . . 0.67000000000000004 109.124 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.87 -46.46 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.638 -1.165 . . . . 0.59999999999999998 109.385 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 34' ' ' LYS . 34.8 mt -60.71 -41.04 86.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.871 -1.058 . . . . 0.41999999999999998 111.44 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.5 t70 -63.64 -51.78 63.65 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 115.965 -0.562 . . . . 1.53 109.57 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -47.46 -45.48 25.99 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.952 0.782 . . . . 1.77 111.516 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.467 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.1 mt -73.97 -52.83 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.367 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -53.49 -44.54 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 1.6799999999999999 110.664 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 15.9 mm100 -70.45 -24.65 62.93 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.179 -0.918 . . . . 1.9199999999999999 110.45 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -25.29 75.57 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.53000000000000003 111.688 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -91.45 -44.29 9.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.339 -0.615 . . . . 0.57999999999999996 109.339 177.105 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.82 73.98 0.59 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.205 -0.907 . . . . 1.3999999999999999 110.29 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -23.37 60.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.102 -0.954 . . . . 1.3 110.519 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.85 -17.72 57.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 2.7999999999999998 110.512 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 60.9 34.12 19.66 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 114.968 -1.015 . . . . 2.7200000000000002 111.565 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -98.12 -4.65 35.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.694 0.759 . . . . 2.1299999999999999 109.385 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 68.48 49.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.184 -1.371 . . . . 2.02 110.27 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -145.89 143.75 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.447 -0.797 . . . . 2.1600000000000001 109.899 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -106.26 108.3 24.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.575 0.702 . . . . 1.8100000000000001 111.294 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.7 167.16 9.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.653 -0.703 . . . . 2.02 109.603 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -59.46 -36.51 76.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.163 -0.68 . . . . 2.1699999999999999 109.163 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.544 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 32.0 tt0 -65.62 -42.31 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.393 -0.821 . . . . 1.6599999999999999 111.069 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.3 mt-10 -72.92 -29.98 63.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.262 0.553 . . . . 1.99 110.09 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 83.8 t80 -73.06 -21.37 60.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.69 0.757 . . . . 1.9199999999999999 109.607 172.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.569 HD13 ' HG2' ' B' ' 83' ' ' LYS . 1.6 mt -72.14 -41.84 67.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.154 -0.93 . . . . 0.67000000000000004 109.895 177.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.621 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.4 p -67.6 -28.84 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.126 -0.488 . . . . 0.73999999999999999 110.031 172.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.671 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.4 tm? -57.64 -48.67 78.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 1.1499999999999999 110.394 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.625 HG21 HG21 ' A' ' 11' ' ' ILE . 26.3 t -66.18 -32.41 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.996 -0.547 . . . . 0.33000000000000002 110.105 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' B' ' 75' ' ' ILE . . . -61.43 -43.33 99.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 0.42999999999999999 110.082 174.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -59.77 -44.79 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.426 -0.807 . . . . 0.40000000000000002 110.516 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -71.68 -29.29 64.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.601 -0.727 . . . . 0.28000000000000003 111.345 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 74.8 mt -67.84 -32.66 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.069 0.462 . . . . 0.33000000000000002 110.027 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' HG2' HD13 ' B' ' 75' ' ' ILE . 0.1 OUTLIER -66.23 -41.34 90.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.058 -0.519 . . . . 1.6699999999999999 109.685 173.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -66.86 -21.42 66.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.355 -0.838 . . . . 0.47999999999999998 111.065 175.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.35 -52.71 6.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.433 -0.349 . . . . 0.56999999999999995 111.699 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -84.79 -54.33 4.76 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.441 0.639 . . . . 2.6800000000000002 110.93 -175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 89' ' ' THR . 2.6 t80 -88.09 24.83 1.73 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.157 -0.929 . . . . 1.8 109.312 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.421 ' HB3' ' O ' ' A' ' 84' ' ' ALA . 5.6 p-80 -45.54 19.26 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 116.769 2.137 . . . . 3.2599999999999998 116.769 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 87' ' ' TYR . 3.9 t -76.01 -44.92 37.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 118.756 0.707 . . . . 1.26 109.296 174.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 168.9 81.53 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 123.546 0.738 . . . . 3.4700000000000002 110.144 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.514 ' HE2' HG23 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -64.55 -23.43 67.27 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.453 -0.573 . . . . 3.4700000000000002 109.453 171.137 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.386 -0.825 . . . . 7.0899999999999999 110.854 177.654 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.161 -0.311 . . . . 6.4199999999999999 110.161 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m 63.42 -83.4 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.441 0.696 . . . . 4.2599999999999998 112.232 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.78 4.07 10.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.341 0.591 . . . . 6.04 109.918 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 82.5 mt 57.72 -146.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.47 -0.786 . . . . 4.5 111.317 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.25 -2.79 56.47 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.498 -0.126 . . . . 3.1000000000000001 111.111 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.476 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 10.8 tp10 -54.21 -28.35 40.41 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.495 0.497 . . . . 2.5099999999999998 112.264 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.45 ' HD2' ' H ' ' B' ' 8' ' ' LEU . 0.3 OUTLIER -72.72 -42.82 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.278 -0.569 . . . . 2.1600000000000001 111.786 178.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.546 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 97.7 mt -81.01 -58.04 3.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.565 0.697 . . . . 0.34000000000000002 110.086 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.16 -26.74 65.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.75 -1.114 . . . . 2.4100000000000001 109.999 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -68.92 -44.47 68.15 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.722 -0.672 . . . . 0.44 111.853 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.622 HG21 HG21 ' B' ' 78' ' ' VAL . 5.5 mm -54.65 -47.76 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.488 0.661 . . . . 1.1599999999999999 109.967 173.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.27 -41.14 90.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.837 -1.074 . . . . 0.56999999999999995 111.469 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -73.73 -27.71 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 1.4199999999999999 111.134 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 51.5 mt -74.88 -35.4 35.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 120.915 0.388 . . . . 2.0600000000000001 110.768 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -62.97 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.661 -0.866 . . . . 2.5800000000000001 108.661 172.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -67.26 -21.71 65.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.007 -0.997 . . . . 2.23 111.029 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 56.3 tp60 -68.19 -49.81 58.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.462 -0.336 . . . . 2.77 110.676 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.428 ' CZ ' ' HG2' ' B' ' 35' ' ' GLN . 63.1 t80 -86.89 -45.72 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.812 -0.755 . . . . 6.25 111.201 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.5 t -72.77 135.45 45.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.431 . . . . 3.02 110.326 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -88.69 134.18 28.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.133 -0.485 . . . . 4.1200000000000001 110.42 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -75.0 84.39 2.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.227 0.537 . . . . 7.2800000000000002 110.103 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -83.22 -56.45 3.76 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.178 -0.675 . . . . 8.7100000000000009 109.178 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.99 -105.27 0.44 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.845 -0.616 . . . . 5.6799999999999997 111.961 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -125.51 -71.21 0.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.667 0.27 . . . . 8.2699999999999996 110.471 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -129.58 56.52 1.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 7.5 110.091 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.53 -55.35 15.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.58 -0.736 . . . . 5.6200000000000001 110.685 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.9 m -135.16 -77.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.328 -0.396 . . . . 3.9500000000000002 110.931 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.6 mt 55.22 68.59 0.84 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.37 0.419 . . . . 2.9100000000000001 110.7 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 76.1 p -101.2 -172.72 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.485 0.55 . . . . 1.3500000000000001 112.485 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.99 -29.25 70.13 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.389 0.276 . . . . 1.3200000000000001 111.037 -176.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.46 -46.82 86.95 Favored Glycine 0 CA--C 1.517 0.179 0 C-N-CA 121.259 -0.496 . . . . 0.40000000000000002 113.008 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.417 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 6.1 mm-40 -64.21 -46.03 85.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.582 . . . . 2.4300000000000002 110.294 -178.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.668 HD11 ' HG ' ' B' ' 77' ' ' LEU . 33.0 tp -64.54 -42.56 95.65 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.009 -0.996 . . . . 0.52000000000000002 110.424 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.442 ' HA ' HD13 ' B' ' 54' ' ' ILE . 81.3 tttt -55.34 -46.54 76.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.014 -0.539 . . . . 1.8700000000000001 110.833 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.6 mp0 -59.76 -57.46 12.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.43 . . . . 2.4500000000000002 110.54 175.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.63 -46.6 63.72 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.561 0.538 . . . . 0.45000000000000001 110.585 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.55 ' CD1' ' HG ' ' B' ' 33' ' ' LEU . 96.0 mt -65.09 -49.11 71.28 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.032 0.382 . . . . 0.45000000000000001 112.032 -176.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.581 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.1 p -66.59 -30.98 71.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.386 -0.37 . . . . 1.23 111.841 -175.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.1 OUTLIER -97.37 -33.24 11.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.861 0.689 . . . . 1.6200000000000001 112.861 -177.191 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.44 -32.96 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.578 0.228 . . . . 1.6699999999999999 111.462 -170.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 8' ' ' LEU . 18.4 mt -119.91 25.49 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 1.4199999999999999 109.854 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.515 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -49.6 -42.65 45.18 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.803 -1.09 . . . . 0.78000000000000003 113.221 -175.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -105.56 13.44 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.843 0.354 . . . . 2.1600000000000001 111.528 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.05 -58.3 1.9 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.717 0.77 . . . . 0.66000000000000003 110.185 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.0 mt -86.26 138.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 114.862 -1.063 . . . . 0.59999999999999998 109.923 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.529 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -57.6 124.5 19.28 Favored 'General case' 0 C--N 1.337 0.048 0 N-CA-C 110.124 -0.325 . . . . 1.6100000000000001 110.124 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.529 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.4 m120 45.2 44.15 8.53 Favored 'General case' 0 CA--C 1.519 -0.248 0 O-C-N 123.821 0.701 . . . . 1.48 111.963 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.5 tp -63.94 -6.31 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.957 0.884 . . . . 0.56000000000000005 110.568 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.581 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.6 OUTLIER -84.18 -11.07 57.17 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.012 -0.995 . . . . 1.1100000000000001 109.909 178.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.28 128.08 36.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.17 -0.923 . . . . 1.5900000000000001 110.535 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -23.93 65.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.598 -0.728 . . . . 0.92000000000000004 110.447 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.9 75.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.108 -0.701 . . . . 0.67000000000000004 109.108 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.09 -46.42 45.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.701 -1.136 . . . . 0.59999999999999998 109.4 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' B' ' 34' ' ' LYS . 34.7 mt -60.83 -41.04 87.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.867 -1.061 . . . . 0.41999999999999998 111.457 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 24.2 t70 -63.64 -51.68 64.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.474 -0.565 . . . . 1.53 109.474 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -47.41 -45.52 25.51 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.575 -0.739 . . . . 1.77 111.607 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 93.3 mt -74.05 -52.78 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.405 -0.362 . . . . 1.0 111.332 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -53.58 -44.35 69.29 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.899 -0.591 . . . . 1.6699999999999999 110.709 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.8 mm100 -70.58 -24.77 62.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.117 -0.947 . . . . 1.9099999999999999 110.309 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.21 -25.0 75.81 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.965 -0.636 . . . . 0.53000000000000003 111.751 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.3 OUTLIER -91.66 -44.33 9.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.329 -0.619 . . . . 0.58999999999999997 109.329 176.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.412 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 22.1 t70 -70.61 73.97 0.55 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.241 -0.89 . . . . 1.3999999999999999 110.38 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.74 -23.66 60.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.116 -0.947 . . . . 1.3100000000000001 110.464 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -77.87 -17.52 57.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.341 -0.845 . . . . 2.7999999999999998 110.478 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.412 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 74.2 mt-30 60.65 34.38 20.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 114.954 -1.021 . . . . 2.7200000000000002 111.547 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.17 -4.89 34.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.629 0.728 . . . . 2.1400000000000001 109.15 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 68.66 49.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.303 -1.317 . . . . 2.0099999999999998 110.257 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -145.89 144.02 29.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.463 -0.79 . . . . 2.1600000000000001 109.784 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -106.6 108.2 24.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.607 0.718 . . . . 1.8100000000000001 111.243 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.76 167.09 9.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.651 -0.704 . . . . 2.02 109.598 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.47 -36.24 75.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.188 -0.671 . . . . 2.1800000000000002 109.188 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 32.4 tt0 -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.418 -0.81 . . . . 1.6699999999999999 111.077 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.9 mt-10 -72.96 -29.95 63.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.238 0.542 . . . . 1.99 110.038 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.561 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 84.1 t80 -73.12 -21.31 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.646 0.736 . . . . 1.9199999999999999 109.623 172.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.556 HD13 ' HG2' ' A' ' 83' ' ' LYS . 1.6 mt -72.13 -41.84 67.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.231 -0.895 . . . . 0.67000000000000004 109.866 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.616 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.3 p -67.74 -28.82 67.97 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.062 -0.517 . . . . 0.73999999999999999 110.005 172.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.668 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.4 tm? -57.6 -48.54 79.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 1.1399999999999999 110.378 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.622 HG21 HG21 ' B' ' 11' ' ' ILE . 26.4 t -66.31 -32.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.052 -0.522 . . . . 0.33000000000000002 109.988 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 75' ' ' ILE . . . -61.32 -43.33 99.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.28 0.562 . . . . 0.42999999999999999 110.135 174.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.616 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -59.92 -44.77 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.436 -0.802 . . . . 0.40000000000000002 110.432 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.554 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -71.63 -29.38 64.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.637 -0.711 . . . . 0.28000000000000003 111.341 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 74.5 mt -67.89 -32.46 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 0.33000000000000002 109.989 173.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.569 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -66.45 -41.37 89.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.04 -0.527 . . . . 1.6699999999999999 109.704 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -66.72 -21.31 66.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.334 -0.848 . . . . 0.47999999999999998 111.178 175.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.43 -52.72 6.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.33 -0.396 . . . . 0.56999999999999995 111.787 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.401 ' ND1' HG13 ' A' ' 12' ' ' VAL . 2.1 t-160 -84.85 -54.29 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 2.6800000000000002 110.879 -175.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.486 ' O ' ' N ' ' B' ' 89' ' ' THR . 2.5 t80 -88.21 24.84 1.76 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.173 -0.921 . . . . 1.8 109.366 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' B' ' 84' ' ' ALA . 5.6 p-80 -45.6 19.54 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.729 2.122 . . . . 3.27 116.729 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.486 ' N ' ' O ' ' B' ' 87' ' ' TYR . 3.9 t -76.1 -44.78 37.09 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.781 0.719 . . . . 1.27 109.376 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 168.74 82.14 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 123.559 0.744 . . . . 3.4700000000000002 109.959 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.511 ' HE2' HG23 ' B' ' 80' ' ' ILE . 0.6 OUTLIER -65.07 -23.73 67.26 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.316 -0.624 . . . . 3.4700000000000002 109.316 171.307 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--O 1.247 0.95 0 CA-C-N 115.345 -0.843 . . . . 7.0800000000000001 110.877 177.646 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 111.807 0.299 . . . . 6.4199999999999999 111.807 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.428 ' HB ' ' H ' ' A' ' 3' ' ' LYS . 25.2 p -85.45 -152.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.437 -0.164 . . . . 4.25 110.99 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' H ' ' HB ' ' A' ' 2' ' ' THR . 65.4 mttm -88.5 -24.84 22.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.011 0.434 . . . . 6.0499999999999998 110.409 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp 67.15 21.36 10.09 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.424 -0.807 . . . . 4.5 112.22 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -65.46 -15.59 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.451 0.643 . . . . 3.1000000000000001 110.298 173.649 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 20.9 tt0 -53.94 -22.79 11.01 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.121 -0.945 . . . . 2.5099999999999998 111.254 173.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.614 ' O ' HG13 ' A' ' 11' ' ' ILE . 33.0 m-70 -71.03 -47.68 57.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 122.222 -0.299 . . . . 2.1600000000000001 110.945 -177.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.845 HD13 ' HB1' ' B' ' 81' ' ' ALA . 69.6 mt -73.19 -62.37 1.49 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.602 0.239 . . . . 0.34000000000000002 111.339 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HG3' ' HB1' ' B' ' 85' ' ' ALA . 2.1 mp0 -63.04 -24.67 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 2.4100000000000001 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.634 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -70.02 -43.76 63.79 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.753 -0.658 . . . . 0.44 112.433 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 7' ' ' HIS . 77.3 mt -65.03 -38.88 83.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 121.357 0.598 . . . . 1.1599999999999999 109.522 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' B' ' 85' ' ' ALA . 86.4 t -61.0 -38.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.181 -0.918 . . . . 0.56999999999999995 110.24 174.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -68.62 -34.67 76.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.582 -0.735 . . . . 1.4199999999999999 110.934 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.634 HG13 ' O ' ' A' ' 10' ' ' GLY . 70.1 mt -60.97 -46.5 96.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.432 -0.349 . . . . 2.0600000000000001 110.299 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 50.9 t80 -64.53 -47.73 77.73 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 2.5699999999999998 109.852 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.55 -25.35 64.46 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.912 -0.586 . . . . 2.23 110.926 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -52.68 19.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.348 -0.387 . . . . 2.77 110.25 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.482 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 96.8 m-85 -84.1 -27.74 28.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 6.25 111.856 -176.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -137.81 118.4 13.94 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.563 -0.532 . . . . 3.0099999999999998 109.563 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.4 m -89.61 -176.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.974 0.416 . . . . 4.1299999999999999 111.168 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.23 50.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.619 0.723 . . . . 7.2800000000000002 109.114 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -73.92 -13.4 60.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.913 -1.04 . . . . 8.6999999999999993 111.339 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.98 -174.5 31.73 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.923 -0.871 . . . . 5.6699999999999999 110.923 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -80.77 57.51 3.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.324 0.583 . . . . 8.2699999999999996 111.056 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -105.26 -65.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.86 -0.793 . . . . 7.5 108.86 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -92.53 166.78 12.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.088 -0.96 . . . . 5.6200000000000001 109.95 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.1 p -122.87 137.86 54.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.704 0.287 . . . . 3.9399999999999999 111.08 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt -75.08 80.7 2.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.216 -0.447 . . . . 2.9100000000000001 110.024 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -103.24 -172.25 2.08 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.185 0.439 . . . . 1.3500000000000001 112.185 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.85 -34.07 75.99 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.946 0.35 . . . . 1.3200000000000001 111.946 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.04 -48.73 80.92 Favored Glycine 0 N--CA 1.462 0.382 0 C-N-CA 120.93 -0.652 . . . . 0.40000000000000002 113.705 -173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.94 -31.47 69.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 2.4399999999999999 111.071 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD11 HD22 ' A' ' 77' ' ' LEU . 23.2 tp -67.95 -44.31 77.06 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.681 -0.691 . . . . 0.52000000000000002 109.369 175.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -54.92 -44.86 74.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.296 -0.866 . . . . 1.8700000000000001 110.995 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.6 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 75.2 mt-30 -54.64 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 2.46 110.23 174.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.97 -46.63 43.83 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.958 0.786 . . . . 0.45000000000000001 110.818 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.525 HD21 HD21 ' A' ' 77' ' ' LEU . 96.3 mt -65.83 -51.64 57.22 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.608 0.595 . . . . 0.45000000000000001 112.608 -176.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 49' ' ' LYS . 37.7 p -67.14 -32.15 73.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.808 0.299 . . . . 1.23 111.808 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 11.4 ptmm? -97.69 -33.17 11.4 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.975 0.731 . . . . 1.6100000000000001 112.975 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 18.2 mm-40 -95.28 -46.83 6.57 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.342 0.591 . . . . 1.6699999999999999 110.518 -173.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.677 ' HG ' HD11 ' B' ' 8' ' ' LEU . 8.2 mp -98.86 23.19 9.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 1.4199999999999999 110.469 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -61.15 -13.58 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.425 -0.807 . . . . 0.78000000000000003 112.629 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.61 -5.75 15.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 2.1600000000000001 111.683 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -110.57 -60.45 1.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.31 -0.556 . . . . 0.66000000000000003 111.566 -169.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.572 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 55.4 mt -79.05 142.41 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.569 -0.742 . . . . 0.59999999999999998 110.094 -175.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -65.12 123.67 20.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.802 -0.444 . . . . 1.6100000000000001 109.802 -176.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.526 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 10.8 m120 46.76 43.09 12.66 Favored 'General case' 0 CA--C 1.519 -0.226 0 O-C-N 123.679 0.612 . . . . 1.48 111.646 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.572 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.5 tp -62.46 -7.94 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 122.066 0.936 . . . . 0.55000000000000004 110.781 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -83.34 -13.42 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.874 -1.057 . . . . 1.1100000000000001 110.094 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.3 m-20 -88.54 128.94 35.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.177 -0.92 . . . . 1.5800000000000001 110.526 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.04 -30.58 71.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.319 -0.855 . . . . 0.92000000000000004 110.384 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.647 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -67.2 -36.84 82.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.226 -0.657 . . . . 0.67000000000000004 109.226 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' HD13 ' A' ' 57' ' ' ILE . 23.3 t -72.78 -46.19 54.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.774 -1.103 . . . . 0.59999999999999998 109.588 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 50' ' ' ASP . 44.7 mt -58.63 -34.99 52.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.577 -0.738 . . . . 0.41999999999999998 110.955 177.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.89 -47.11 75.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.247 -1.019 . . . . 1.53 108.247 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.647 ' HG3' ' O ' ' A' ' 52' ' ' ALA . 42.0 mt-10 -55.52 -46.12 77.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.661 -1.154 . . . . 1.77 111.683 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.6 mp -67.4 -56.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.744 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.21 -45.44 79.86 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.807 -0.633 . . . . 1.6799999999999999 110.583 -175.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.627 HE21 ' HA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -67.63 -26.56 66.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.589 -0.732 . . . . 1.9199999999999999 110.747 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.3 -25.6 75.15 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.693 -0.765 . . . . 0.53000000000000003 111.855 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.41 -41.75 9.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.611 -0.514 . . . . 0.57999999999999996 109.611 177.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.32 73.4 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 1.3999999999999999 110.215 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.15 -17.74 51.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.288 -0.869 . . . . 1.3 109.578 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.83 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -1.059 . . . . 2.7999999999999998 110.286 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 60.06 40.27 18.76 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 114.61 -1.177 . . . . 2.7200000000000002 112.554 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -122.02 6.04 9.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.407 0.622 . . . . 2.1299999999999999 110.129 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 62.86 59.41 1.39 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.934 -1.03 . . . . 2.02 110.12 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -148.97 116.18 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 2.1600000000000001 110.336 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 73' ' ' GLU . 3.7 p -95.79 105.17 16.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.664 -0.698 . . . . 1.8100000000000001 110.268 176.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.11 178.6 8.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.172 -0.467 . . . . 2.02 109.783 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' CE2' ' HD2' ' A' ' 15' ' ' PHE . 55.4 m-85 -62.5 -30.3 71.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.958 0.409 . . . . 2.1699999999999999 110.007 175.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 7.8 tt0 -69.05 -43.91 73.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 1.6599999999999999 110.986 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 3.3 mm-40 -67.47 -38.13 83.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.911 -0.774 . . . . 1.99 108.911 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.502 ' CD1' HD23 ' A' ' 77' ' ' LEU . 84.0 t80 -64.3 -27.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.076 -0.965 . . . . 1.9199999999999999 110.47 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -64.89 -40.77 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.825 -0.625 . . . . 0.67000000000000004 109.552 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.518 ' O ' HD13 ' A' ' 80' ' ' ILE . 70.5 m -62.93 -38.17 89.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.466 -0.788 . . . . 0.73999999999999999 110.069 174.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 33' ' ' LEU . 19.0 tp -57.21 -44.8 84.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.506 -0.316 . . . . 1.1499999999999999 111.037 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.547 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 22.0 t -66.82 -30.67 50.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.989 -0.374 . . . . 0.33000000000000002 109.989 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -63.06 -47.34 83.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.15 0.5 . . . . 0.42999999999999999 109.949 173.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.557 HG23 ' HE2' ' A' ' 91' ' ' LYS . 1.7 mp -58.84 -41.39 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.44 -0.8 . . . . 0.40000000000000002 110.62 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.883 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.05 -41.23 59.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.451 -0.795 . . . . 0.28000000000000003 112.019 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 89.2 mt -61.85 -36.46 81.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.403 0.62 . . . . 0.33000000000000002 109.346 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.486 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 3.7 tmtp? -64.56 -41.99 95.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.191 -0.913 . . . . 1.6699999999999999 109.933 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.7 65.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.157 -0.474 . . . . 0.47999999999999998 111.215 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -80.72 -59.64 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.271 -0.422 . . . . 0.56999999999999995 111.384 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -76.21 -47.94 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.6 0.714 . . . . 2.6800000000000002 110.952 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.59 ' C ' ' H ' ' A' ' 89' ' ' THR . 13.6 t80 -88.68 25.66 1.68 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.61 -1.177 . . . . 1.8 109.688 -177.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.51 ' C ' ' H ' ' A' ' 90' ' ' HIS . 33.3 t60 -47.32 16.82 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.755 1.622 . . . . 3.2599999999999998 114.787 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.59 ' H ' ' C ' ' A' ' 87' ' ' TYR . 14.7 t -79.74 17.64 0.89 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.932 0.873 . . . . 1.26 108.987 171.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 88' ' ' HIS . 20.1 m170 78.75 77.78 0.06 Allowed 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.061 -1.427 . . . . 3.4700000000000002 109.797 -176.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.557 ' HE2' HG23 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -51.53 -34.92 38.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.851 -1.068 . . . . 3.4700000000000002 110.383 173.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.526 ' OXT' ' HG2' ' A' ' 46' ' ' LYS . 9.4 tp10 . . . . . 0 C--O 1.245 0.865 0 N-CA-C 108.869 -0.789 . . . . 7.0899999999999999 108.869 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.628 0.233 . . . . 6.4199999999999999 111.628 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -85.44 -153.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.467 -0.145 . . . . 4.2599999999999998 110.895 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.421 ' HB2' ' HG3' ' B' ' 5' ' ' GLU . 65.0 mttm -87.97 -24.6 23.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 6.04 110.501 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp 67.06 21.42 10.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.425 -0.807 . . . . 4.5 112.187 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -65.49 -15.74 62.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.397 0.618 . . . . 3.1000000000000001 110.217 173.715 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.49 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 20.7 tt0 -53.98 -22.61 10.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.142 -0.936 . . . . 2.5099999999999998 111.317 173.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.618 ' O ' HG13 ' B' ' 11' ' ' ILE . 32.6 m-70 -71.07 -47.77 56.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.253 -0.28 . . . . 2.1600000000000001 110.876 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.883 HD13 ' HB1' ' A' ' 81' ' ' ALA . 69.8 mt -73.17 -62.46 1.46 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.541 0.21 . . . . 0.34000000000000002 111.358 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' B' ' 8' ' ' LEU . 2.2 mp0 -62.96 -24.47 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 2.4100000000000001 110.338 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.654 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -70.36 -43.45 62.38 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.637 -0.71 . . . . 0.44 112.514 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 7' ' ' HIS . 77.4 mt -65.24 -39.01 84.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 117.392 0.596 . . . . 1.1599999999999999 109.46 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 85' ' ' ALA . 88.9 t -60.7 -39.06 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.218 -0.901 . . . . 0.56999999999999995 110.308 174.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.565 -0.743 . . . . 1.4199999999999999 110.807 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.654 HG13 ' O ' ' B' ' 10' ' ' GLY . 70.2 mt -61.12 -46.23 97.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.507 -0.315 . . . . 2.0600000000000001 110.317 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.41 ' HB2' ' CZ ' ' B' ' 74' ' ' PHE . 50.8 t80 -64.55 -47.77 77.53 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.838 -0.43 . . . . 2.5800000000000001 109.838 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -59.69 -25.08 64.47 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 2.23 110.965 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -52.49 19.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 2.77 110.275 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.483 ' CE1' ' HD3' ' B' ' 39' ' ' LYS . 96.5 m-85 -84.58 -27.19 27.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.395 -0.366 . . . . 6.25 111.882 -176.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -138.28 117.98 13.12 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.687 -0.486 . . . . 3.02 109.687 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -89.34 -176.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.941 0.401 . . . . 4.1200000000000001 111.252 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.26 49.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.561 0.696 . . . . 7.2800000000000002 109.201 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -73.46 -13.05 60.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.89 -1.05 . . . . 8.7100000000000009 111.247 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.71 -174.02 31.61 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.95 -0.86 . . . . 5.6799999999999997 110.95 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -80.99 57.71 3.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.341 0.591 . . . . 8.2699999999999996 111.089 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -105.61 -65.35 1.06 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.978 -0.749 . . . . 7.5 108.978 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -92.94 166.6 12.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.05 -0.977 . . . . 5.6200000000000001 109.98 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -122.95 137.43 54.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.72 0.295 . . . . 3.9500000000000002 111.169 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.54 80.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 2.9100000000000001 110.124 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -103.26 -172.11 2.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.142 0.423 . . . . 1.3500000000000001 112.142 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -67.88 -34.29 76.37 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 111.919 0.34 . . . . 1.3200000000000001 111.919 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.53 -49.4 73.74 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 120.916 -0.659 . . . . 0.40000000000000002 113.645 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.54 -31.35 69.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.058 0.456 . . . . 2.4300000000000002 111.149 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.512 HD11 HD22 ' B' ' 77' ' ' LEU . 23.5 tp -68.01 -44.23 77.02 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.74 -0.664 . . . . 0.52000000000000002 109.364 175.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.79 -45.23 74.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.332 -0.849 . . . . 1.8700000000000001 110.935 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.592 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 75.4 mt-30 -54.44 -62.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 2.4500000000000002 110.2 174.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 tt -48.93 -46.7 43.57 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.569 -0.741 . . . . 0.45000000000000001 110.905 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.539 HD21 HD21 ' B' ' 77' ' ' LEU . 96.2 mt -65.76 -51.65 57.43 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 112.548 0.573 . . . . 0.45000000000000001 112.548 -176.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.619 HG22 ' HA ' ' B' ' 49' ' ' LYS . 37.2 p -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 111.849 0.315 . . . . 1.23 111.849 -174.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 11.4 ptmm? -97.67 -33.18 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.981 0.734 . . . . 1.6200000000000001 112.981 -176.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.485 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 18.4 mm-40 -95.13 -46.99 6.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.6699999999999999 110.537 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 8' ' ' LEU . 8.1 mp -98.73 23.22 9.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 1.4199999999999999 110.543 -175.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -61.29 -13.36 18.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.463 -0.789 . . . . 0.78000000000000003 112.666 -177.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -110.53 -6.18 14.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.668 0.247 . . . . 2.1600000000000001 111.668 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -110.51 -60.28 1.83 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.149 0.5 . . . . 0.66000000000000003 111.708 -169.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 55.3 mt -79.29 142.35 14.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.635 -0.712 . . . . 0.59999999999999998 110.108 -175.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.52 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -65.11 123.68 20.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.965 -0.383 . . . . 1.6100000000000001 109.965 -176.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.52 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 10.3 m120 46.63 43.3 12.46 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 123.631 0.582 . . . . 1.48 111.545 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.585 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.4 tp -62.61 -7.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.903 0.858 . . . . 0.56000000000000005 110.691 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.619 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.3 mmmm -83.48 -13.21 55.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.937 -1.029 . . . . 1.1100000000000001 110.055 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.423 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.2 m-20 -88.57 128.66 35.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.039 -0.982 . . . . 1.5900000000000001 110.61 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.75 -30.72 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.24 -0.891 . . . . 0.92000000000000004 110.361 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.652 ' O ' ' HG3' ' B' ' 56' ' ' GLU . . . -67.24 -36.91 82.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.157 -0.682 . . . . 0.67000000000000004 109.157 177.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.468 ' O ' HD13 ' B' ' 57' ' ' ILE . 23.4 t -72.63 -46.36 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.77 -1.104 . . . . 0.59999999999999998 109.595 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 50' ' ' ASP . 44.0 mt -58.45 -35.14 52.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.445 -0.798 . . . . 0.41999999999999998 110.831 177.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.71 -47.37 75.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.216 -1.031 . . . . 1.53 108.216 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.652 ' HG3' ' O ' ' B' ' 52' ' ' ALA . 42.8 mt-10 -55.57 -45.88 77.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.728 -1.124 . . . . 1.77 111.635 177.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.538 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.6 mp -67.35 -56.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.753 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.08 -45.44 79.38 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.734 -0.666 . . . . 1.6699999999999999 110.572 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.626 HE21 ' HA ' ' B' ' 59' ' ' GLN . 0.0 OUTLIER -67.76 -26.49 66.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.597 -0.729 . . . . 1.9099999999999999 110.795 179.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.58 75.03 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.676 -0.773 . . . . 0.53000000000000003 111.846 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.35 -42.11 9.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.486 -0.561 . . . . 0.58999999999999997 109.486 177.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.93 73.3 1.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.449 -0.796 . . . . 1.3999999999999999 110.225 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.88 -18.1 51.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.382 -0.826 . . . . 1.3100000000000001 109.663 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -74.03 -18.79 60.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.824 -1.08 . . . . 2.7999999999999998 110.387 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.02 39.89 19.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.749 -1.114 . . . . 2.7200000000000002 112.569 174.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -121.67 6.1 10.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.319 0.58 . . . . 2.1400000000000001 110.155 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 62.8 59.36 1.42 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.078 -0.965 . . . . 2.0099999999999998 110.085 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.94 116.25 6.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.307 -0.86 . . . . 2.1600000000000001 110.361 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' B' ' 73' ' ' GLU . 3.7 p -95.87 105.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.611 -0.722 . . . . 1.8100000000000001 110.246 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -80.1 178.68 8.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.053 -0.521 . . . . 2.02 109.769 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.67 -30.25 71.25 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.56 -0.456 . . . . 2.1800000000000002 110.028 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 7.8 tt0 -68.83 -44.29 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 1.6699999999999999 110.955 175.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 3.4 mm-40 -67.16 -38.15 84.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.874 -0.788 . . . . 1.99 108.874 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.489 ' CD1' HD23 ' B' ' 77' ' ' LEU . 84.0 t80 -64.28 -27.33 68.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.04 -0.982 . . . . 1.9199999999999999 110.434 174.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.553 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -65.18 -40.54 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.878 -0.601 . . . . 0.67000000000000004 109.498 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.54 ' O ' HD13 ' B' ' 80' ' ' ILE . 66.8 m -63.18 -38.02 89.51 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.59 -0.732 . . . . 0.73999999999999999 110.066 174.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.539 HD21 HD21 ' B' ' 37' ' ' LEU . 19.4 tp -57.23 -44.8 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.473 -0.33 . . . . 1.1399999999999999 111.044 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.1 t -66.98 -30.59 50.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.937 -0.394 . . . . 0.33000000000000002 109.937 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.81 -47.69 82.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.183 0.516 . . . . 0.42999999999999999 109.956 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.575 HG23 ' HE2' ' B' ' 91' ' ' LYS . 1.7 mp -58.71 -41.32 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 0.40000000000000002 110.541 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.845 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -74.98 -41.4 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.444 -0.798 . . . . 0.28000000000000003 112.07 -174.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 89.1 mt -61.78 -36.46 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.408 0.623 . . . . 0.33000000000000002 109.37 174.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.471 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 3.7 tmtp? -64.54 -42.02 95.99 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.125 -0.943 . . . . 1.6699999999999999 109.951 174.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.71 65.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.254 -0.43 . . . . 0.47999999999999998 111.124 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.438 ' HB1' ' HG3' ' A' ' 9' ' ' GLU . . . -80.76 -59.23 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.384 -0.371 . . . . 0.56999999999999995 111.535 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -76.62 -48.03 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.708 0.766 . . . . 2.6800000000000002 110.786 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.592 ' C ' ' H ' ' B' ' 89' ' ' THR . 13.5 t80 -88.49 25.73 1.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.632 -1.167 . . . . 1.8 109.644 -177.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' B' ' 90' ' ' HIS . 32.6 t60 -47.58 17.27 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.724 1.61 . . . . 3.27 114.77 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.592 ' H ' ' C ' ' B' ' 87' ' ' TYR . 13.5 t -80.11 17.79 0.95 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.754 0.787 . . . . 1.27 108.968 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' B' ' 88' ' ' HIS . 20.3 m170 78.6 77.94 0.06 Allowed 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 114.206 -1.361 . . . . 3.4700000000000002 109.662 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.575 ' HE2' HG23 ' B' ' 80' ' ' ILE . 0.5 OUTLIER -51.79 -34.76 41.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.863 -1.062 . . . . 3.4700000000000002 110.323 173.525 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.509 ' OXT' ' HG2' ' B' ' 46' ' ' LYS . 9.5 tp10 . . . . . 0 C--O 1.245 0.832 0 N-CA-C 109.195 -0.669 . . . . 7.0800000000000001 109.195 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttp . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.144 -0.317 . . . . 6.4199999999999999 110.144 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 p -67.18 158.77 30.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.986 -0.552 . . . . 4.25 111.397 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' HA ' ' CE ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.4 16.74 17.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.315 -0.402 . . . . 6.0499999999999998 111.304 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.0 mt 5.82 95.64 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 125.156 1.535 . . . . 4.5 114.702 171.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 72.17 -27.24 0.18 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.9 1.074 . . . . 3.1000000000000001 113.9 170.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.34 -34.3 46.64 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.004 0.742 . . . . 2.5099999999999998 113.004 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -78.28 -35.08 48.45 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.109 -0.37 . . . . 2.1600000000000001 111.727 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.692 HD13 ' HB1' ' B' ' 81' ' ' ALA . 62.1 mt -83.75 -54.84 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.048 0.452 . . . . 0.34000000000000002 109.927 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.03 -27.9 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.434 -0.803 . . . . 2.4100000000000001 110.423 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.71 -52.13 41.11 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.565 -0.743 . . . . 0.44 111.785 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 78' ' ' VAL . 15.0 mm -54.84 -48.18 74.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.045 0.45 . . . . 1.1599999999999999 110.438 175.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.84 -44.2 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 0.56999999999999995 111.423 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.61 -40.87 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 1.4199999999999999 110.555 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 10' ' ' GLY . 22.1 mm -61.28 -44.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 2.0600000000000001 110.698 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 44.5 t80 -61.28 -46.14 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 2.5699999999999998 110.088 177.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -63.28 -21.88 66.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 2.23 111.155 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.64 -46.08 12.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.496 -0.32 . . . . 2.77 111.627 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -92.18 6.18 47.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.209 0.448 . . . . 6.25 112.209 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.45 ' HA ' ' OE1' ' A' ' 32' ' ' GLU . 82.9 p -135.35 139.3 44.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.673 -0.492 . . . . 3.0099999999999998 109.673 173.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.87 144.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.999 0.428 . . . . 4.1299999999999999 110.953 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.492 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 2.9 mpt_? -88.17 -46.35 9.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 7.2800000000000002 109.712 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttm 52.57 54.36 10.74 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.488 0.661 . . . . 8.6999999999999993 111.377 173.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.4 -57.85 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.74 -0.664 . . . . 5.6699999999999999 113.23 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -135.05 143.65 46.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.956 -0.387 . . . . 8.2699999999999996 109.956 -176.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -66.35 88.12 0.12 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.348 0.594 . . . . 7.5 111.223 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -128.65 -43.7 1.39 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.129 -0.941 . . . . 5.6200000000000001 109.165 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -83.17 50.77 1.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.376 -0.829 . . . . 3.9399999999999999 110.923 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp -132.31 32.01 4.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.795 0.807 . . . . 2.9100000000000001 109.02 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 p -92.39 -171.04 2.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.09 -0.959 . . . . 1.3500000000000001 111.699 -173.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 22.3 ttmt -52.59 -29.85 27.98 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.553 -0.294 . . . . 1.3200000000000001 111.573 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -47.01 91.63 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.229 -0.51 . . . . 0.40000000000000002 113.193 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' OE1' ' HA ' ' A' ' 19' ' ' SER . 10.5 mm-40 -63.73 -44.09 94.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.362 0.601 . . . . 2.4399999999999999 110.044 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 27.2 tp -60.23 -51.66 68.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.868 -1.06 . . . . 0.52000000000000002 109.617 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 80.8 tttt -53.93 -48.65 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.342 -0.844 . . . . 1.8700000000000001 111.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.72 -56.98 12.62 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.38 0.425 . . . . 2.46 110.232 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.8 tt -53.56 -50.48 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.185 -0.461 . . . . 0.45000000000000001 110.546 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 97.0 mt -59.48 -52.05 67.25 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.887 0.699 . . . . 0.45000000000000001 112.887 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 34' ' ' LYS . 9.6 t -64.14 -30.9 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.504 0.193 . . . . 1.23 111.498 -173.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.4 -30.96 12.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 113.117 0.784 . . . . 1.6100000000000001 113.117 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 57.1 mm-40 -95.65 -40.43 9.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.109 0.481 . . . . 1.6699999999999999 111.533 -174.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' B' ' 8' ' ' LEU . 8.0 mp -107.85 18.19 21.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 1.4199999999999999 110.842 -172.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -50.64 -36.29 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.515 -0.766 . . . . 0.78000000000000003 112.527 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -109.17 20.24 18.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.721 0.267 . . . . 2.1600000000000001 111.721 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.414 HG21 ' CD1' ' B' ' 8' ' ' LEU . 17.6 m -116.91 -64.55 1.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.279 0.561 . . . . 0.66000000000000003 110.964 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.602 ' HA ' ' HB1' ' A' ' 84' ' ' ALA . 41.2 mt -80.75 138.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.782 -0.645 . . . . 0.59999999999999998 110.456 -176.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.16 121.18 8.85 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.119 -0.491 . . . . 1.6100000000000001 109.923 -178.026 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.6 m-20 45.09 44.48 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.53 -0.759 . . . . 1.48 111.844 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -59.8 -6.92 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.842 0.829 . . . . 0.55000000000000004 111.21 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.76 -9.55 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.357 -0.838 . . . . 1.1100000000000001 109.949 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' O ' HG13 ' A' ' 54' ' ' ILE . 2.3 m-20 -89.88 128.47 36.2 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.292 -0.867 . . . . 1.5800000000000001 110.889 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.595 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 23.8 tptm -63.05 -28.49 70.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.12 -0.946 . . . . 0.92000000000000004 110.23 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -69.21 -34.41 74.82 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.245 -0.65 . . . . 0.67000000000000004 109.245 177.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 38.3 t -73.61 -48.9 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.857 -1.065 . . . . 0.59999999999999998 109.321 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.437 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 25.4 mt -59.13 -37.04 65.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.977 -1.011 . . . . 0.41999999999999998 111.331 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.44 -43.08 82.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.888 -0.597 . . . . 1.53 109.74 178.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 40.0 mm-40 -53.39 -48.85 68.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.191 -0.913 . . . . 1.77 110.735 174.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.612 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.6 mt -68.05 -53.98 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.965 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -51.34 -46.37 62.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.296 -0.865 . . . . 1.6799999999999999 110.904 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -68.6 -24.82 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 1.9199999999999999 111.148 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.02 -21.87 75.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.859 -0.686 . . . . 0.53000000000000003 112.353 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.648 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -96.3 -44.73 7.12 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.759 -0.46 . . . . 0.57999999999999996 109.759 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 34.6 t70 -70.25 71.18 0.42 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 124.032 0.832 . . . . 1.3999999999999999 110.3 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 -21.85 41.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.124 -0.944 . . . . 1.3 110.055 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -83.9 -13.99 52.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 2.7999999999999998 110.604 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 91.6 mt-30 65.13 40.0 5.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.936 -1.029 . . . . 2.7200000000000002 111.87 173.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.13 -3.19 26.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.992 0.425 . . . . 2.1299999999999999 110.12 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 62.78 30.49 16.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.329 -0.85 . . . . 2.02 109.719 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.59 118.58 12.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.203 -0.908 . . . . 2.1600000000000001 109.666 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.74 106.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.893 0.377 . . . . 1.8100000000000001 110.825 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.64 166.13 23.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 2.02 109.722 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -56.37 -40.11 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.74 0.305 . . . . 2.1699999999999999 110.595 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.563 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 37.4 tt0 -75.47 -32.06 60.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.363 0.602 . . . . 1.6599999999999999 111.074 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 51.5 mt-10 -71.68 -26.73 62.64 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.422 0.63 . . . . 1.99 109.635 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 65.1 t80 -76.31 -21.49 56.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.464 -0.569 . . . . 1.9199999999999999 109.464 171.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.563 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -62.86 -44.13 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.71 -0.848 . . . . 0.67000000000000004 108.71 174.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.616 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.36 -30.33 68.31 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.599 -0.728 . . . . 0.73999999999999999 110.787 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.6 tm? -56.42 -47.58 78.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.428 . . . . 1.1499999999999999 109.856 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.612 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.4 t -66.48 -31.58 54.23 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 115.944 -0.571 . . . . 0.33000000000000002 110.222 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' B' ' 75' ' ' ILE . . . -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.516 0.674 . . . . 0.42999999999999999 109.805 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.72 -43.66 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.879 -1.055 . . . . 0.40000000000000002 110.241 174.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.695 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.52 -33.64 60.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.961 . . . . 0.28000000000000003 112.824 -172.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 99.4 mt -67.55 -41.66 83.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.176 0.513 . . . . 0.33000000000000002 110.291 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.525 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 5.6 mttt -74.99 -23.94 58.35 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.852 -0.739 . . . . 1.6699999999999999 110.57 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -67.61 -23.61 65.39 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 0.47999999999999998 110.228 170.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.81 -51.69 7.43 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.56999999999999995 111.355 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 88' ' ' HIS . 41.2 t-80 -82.35 -55.42 4.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.298 0.571 . . . . 2.6800000000000002 110.957 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.515 ' C ' ' H ' ' A' ' 89' ' ' THR . 7.3 t80 -78.69 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.958 -1.019 . . . . 1.8 109.918 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.6 p-80 -52.0 18.57 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.223 1.564 . . . . 3.2599999999999998 115.223 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.515 ' H ' ' C ' ' A' ' 87' ' ' TYR . 4.3 t -77.24 -35.7 55.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.438 -1.319 . . . . 1.26 107.438 175.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 89' ' ' THR . 11.0 p80 158.06 85.71 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.066 -1.879 . . . . 3.4700000000000002 106.585 174.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.56 ' HZ3' HG23 ' A' ' 80' ' ' ILE . 2.6 ttpt -50.3 -31.46 14.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.747 -0.66 . . . . 3.4700000000000002 109.874 178.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.996 -1.002 . . . . 7.0899999999999999 110.291 172.533 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.136 -0.32 . . . . 6.4199999999999999 110.136 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p -67.27 158.89 30.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 4.2599999999999998 111.437 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.446 ' HA ' ' HE3' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -114.45 16.84 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.284 -0.416 . . . . 6.04 111.215 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt 5.5 95.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 O-C-N 125.056 1.472 . . . . 4.5 114.728 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 72.4 -27.13 0.18 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.911 1.078 . . . . 3.1000000000000001 113.911 170.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -52.24 -34.66 46.97 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.051 0.76 . . . . 2.5099999999999998 113.051 -169.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -77.97 -35.07 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.242 -0.286 . . . . 2.1600000000000001 111.704 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.695 HD13 ' HB1' ' A' ' 81' ' ' ALA . 61.7 mt -83.74 -54.79 4.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 0.34000000000000002 109.95 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.19 -27.81 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.365 -0.834 . . . . 2.4100000000000001 110.376 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.432 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.92 -51.93 41.74 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.67 -0.696 . . . . 0.44 111.77 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.536 HG21 HG21 ' B' ' 78' ' ' VAL . 15.0 mm -55.01 -48.1 76.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.025 0.441 . . . . 1.1599999999999999 110.493 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.13 -43.86 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.558 -0.746 . . . . 0.56999999999999995 111.498 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -65.75 -41.03 92.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 1.4199999999999999 110.556 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.437 HG22 HD11 ' B' ' 36' ' ' LEU . 22.3 mm -61.09 -44.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.626 . . . . 2.0600000000000001 110.782 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 44.4 t80 -61.43 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 2.5800000000000001 110.15 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -63.46 -22.13 66.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.99 -0.55 . . . . 2.23 111.083 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -83.51 -46.19 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.282 -0.417 . . . . 2.77 111.631 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -92.31 6.38 47.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.077 0.399 . . . . 6.25 112.077 -172.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.454 ' HA ' ' OE1' ' B' ' 32' ' ' GLU . 84.2 p -135.6 139.19 43.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.731 -0.47 . . . . 3.02 109.731 173.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 23.5 m -108.77 144.19 17.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.004 0.43 . . . . 4.1200000000000001 111.081 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.488 ' N ' ' HD2' ' B' ' 21' ' ' ARG . 2.9 mpt_? -87.53 -46.81 9.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.057 -0.519 . . . . 7.2800000000000002 109.69 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 60.6 tttm 52.7 54.51 10.43 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.477 0.655 . . . . 8.7100000000000009 111.323 173.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.39 -58.08 5.04 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.68 -0.691 . . . . 5.6799999999999997 113.116 175.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -134.43 144.36 48.1 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.83 -0.433 . . . . 8.2699999999999996 109.83 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -66.99 88.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.453 0.644 . . . . 7.5 111.267 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.44 -43.87 1.41 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.148 -0.933 . . . . 5.6200000000000001 109.119 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.4 p -82.94 50.71 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.254 -0.885 . . . . 3.9500000000000002 110.835 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.6 tp -132.41 32.02 3.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.873 0.844 . . . . 2.9100000000000001 108.981 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -92.53 -171.06 2.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 1.3500000000000001 111.725 -173.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 22.3 ttmt -52.61 -29.76 27.66 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 122.374 0.269 . . . . 1.3200000000000001 111.695 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.73 -47.07 91.13 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.374 -0.441 . . . . 0.40000000000000002 113.21 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.454 ' OE1' ' HA ' ' B' ' 19' ' ' SER . 10.8 mm-40 -63.6 -44.25 94.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.332 0.587 . . . . 2.4300000000000002 110.144 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.644 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.3 tp -60.21 -51.47 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.931 -1.031 . . . . 0.52000000000000002 109.639 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.445 ' O ' HG22 ' B' ' 38' ' ' THR . 80.9 tttt -54.11 -48.57 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 1.8700000000000001 111.413 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.74 -56.87 13.61 Favored 'General case' 0 CA--C 1.519 -0.216 0 O-C-N 123.451 0.469 . . . . 2.4500000000000002 110.267 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.437 HD11 HG22 ' B' ' 14' ' ' ILE . 9.8 tt -53.73 -50.48 65.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.128 -0.487 . . . . 0.45000000000000001 110.502 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.4 mt -59.73 -51.82 68.15 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.843 0.683 . . . . 0.45000000000000001 112.843 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.445 HG22 ' O ' ' B' ' 34' ' ' LYS . 9.6 t -64.04 -31.06 72.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.507 0.194 . . . . 1.23 111.514 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -31.19 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.164 0.802 . . . . 1.6200000000000001 113.164 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 56.7 mm-40 -95.67 -40.29 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.214 0.53 . . . . 1.6699999999999999 111.619 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 8' ' ' LEU . 7.9 mp -107.58 18.08 21.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.428 -0.806 . . . . 1.4199999999999999 110.978 -172.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -50.76 -35.78 33.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.439 -0.8 . . . . 0.78000000000000003 112.573 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -109.52 19.73 18.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.679 -0.237 . . . . 2.1600000000000001 111.614 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.403 HG21 ' CD1' ' A' ' 8' ' ' LEU . 17.9 m -116.5 -65.11 1.22 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.112 0.482 . . . . 0.66000000000000003 110.835 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.598 ' HA ' ' HB1' ' B' ' 84' ' ' ALA . 41.4 mt -80.13 139.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.878 -0.601 . . . . 0.59999999999999998 110.466 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.456 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -56.36 121.1 8.79 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.095 -0.502 . . . . 1.6100000000000001 109.876 -177.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.456 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 45.21 44.47 8.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.614 -0.721 . . . . 1.48 111.72 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -59.95 -6.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.859 0.838 . . . . 0.56000000000000005 111.218 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.0 -9.13 57.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.305 -0.861 . . . . 1.1100000000000001 110.055 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.419 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.4 m-20 -90.26 128.84 36.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.328 -0.851 . . . . 1.5900000000000001 110.836 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.591 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 23.7 tptm -63.35 -28.4 69.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.16 -0.927 . . . . 0.92000000000000004 110.211 176.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -69.27 -34.47 74.81 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.295 -0.631 . . . . 0.67000000000000004 109.295 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.452 ' O ' HG13 ' B' ' 57' ' ' ILE . 38.1 t -73.47 -48.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.807 -1.088 . . . . 0.59999999999999998 109.355 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 25.4 mt -58.98 -37.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.939 -1.028 . . . . 0.41999999999999998 111.286 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.2 OUTLIER -67.59 -43.15 81.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.924 -0.58 . . . . 1.53 109.66 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 40.3 mm-40 -53.28 -48.84 67.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.168 -0.923 . . . . 1.77 110.703 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.1 mt -68.19 -54.05 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.958 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.22 -46.39 62.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.315 -0.857 . . . . 1.6699999999999999 110.894 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -68.88 -24.12 64.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.725 -0.67 . . . . 1.9099999999999999 111.244 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.46 -21.92 74.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.53000000000000003 112.278 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.652 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.4 OUTLIER -96.36 -44.56 7.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.86 -0.422 . . . . 0.58999999999999997 109.86 178.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 34.3 t70 -70.15 71.15 0.4 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.262 -0.881 . . . . 1.3999999999999999 110.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.47 -22.37 41.13 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.29 -0.868 . . . . 1.3100000000000001 110.012 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -83.3 -14.54 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.13 -0.941 . . . . 2.7999999999999998 110.55 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 92.6 mt-30 65.71 40.17 4.5 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 114.823 -1.08 . . . . 2.7200000000000002 111.885 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.22 -3.23 26.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 2.1400000000000001 110.198 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 63.12 29.89 16.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.211 -0.904 . . . . 2.0099999999999998 109.791 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -139.18 118.52 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.234 -0.894 . . . . 2.1600000000000001 109.656 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.409 HG21 HD22 ' B' ' 33' ' ' LEU . 21.2 t -70.61 106.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.977 0.418 . . . . 1.8100000000000001 110.842 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.83 166.14 23.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 2.02 109.678 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -56.35 -40.01 73.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.789 0.328 . . . . 2.1800000000000002 110.624 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.562 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 37.0 tt0 -75.56 -32.05 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.308 0.575 . . . . 1.6699999999999999 111.059 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.652 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 50.6 mt-10 -71.59 -26.81 62.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.436 0.636 . . . . 1.99 109.613 174.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 64.8 t80 -76.35 -21.38 56.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.552 -0.536 . . . . 1.9199999999999999 109.552 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.562 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -62.66 -44.25 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.724 -0.843 . . . . 0.67000000000000004 108.724 174.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.628 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.8 p -69.49 -30.25 68.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.538 -0.756 . . . . 0.73999999999999999 110.846 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.6 tm? -56.32 -47.72 78.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.693 -0.484 . . . . 1.1399999999999999 109.693 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.608 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 26.7 t -66.45 -31.5 53.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-N 115.946 -0.57 . . . . 0.33000000000000002 110.229 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 75' ' ' ILE . . . -59.89 -49.43 77.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.558 0.694 . . . . 0.42999999999999999 109.714 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.628 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.77 -43.65 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.968 -1.015 . . . . 0.40000000000000002 110.198 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.57 -33.73 60.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.081 -0.963 . . . . 0.28000000000000003 112.763 -172.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 99.4 mt -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.059 0.457 . . . . 0.33000000000000002 110.299 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.54 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 5.6 mttt -75.1 -23.78 58.01 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.901 -0.719 . . . . 1.6699999999999999 110.64 175.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.598 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -67.75 -23.63 65.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.677 -0.409 . . . . 0.47999999999999998 110.123 170.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.75 -51.63 7.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 0.56999999999999995 111.357 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.478 ' C ' ' H ' ' B' ' 88' ' ' HIS . 41.1 t-80 -82.59 -55.2 4.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.437 0.637 . . . . 2.6800000000000002 111.029 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.495 ' C ' ' H ' ' B' ' 89' ' ' THR . 7.2 t80 -78.68 22.17 0.37 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.008 -0.996 . . . . 1.8 109.942 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.6 p-80 -52.1 18.67 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.03 1.493 . . . . 3.27 115.03 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.495 ' H ' ' C ' ' B' ' 87' ' ' TYR . 4.1 t -77.27 -35.96 54.73 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 107.327 -1.36 . . . . 1.27 107.327 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' B' ' 89' ' ' THR . 11.0 p80 158.45 85.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 113.088 -1.869 . . . . 3.4700000000000002 106.668 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.578 ' HZ3' HG23 ' B' ' 80' ' ' ILE . 2.7 ttpt -49.87 -31.47 12.13 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.798 -0.637 . . . . 3.4700000000000002 109.909 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 117.956 -1.021 . . . . 7.0800000000000001 110.198 172.562 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.637 0.256 . . . . 6.4199999999999999 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.579 ' HB ' ' OE1' ' B' ' 40' ' ' GLU . 3.6 t -119.66 121.52 39.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.358 0.599 . . . . 4.25 111.154 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -88.97 -51.75 5.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 6.0499999999999998 109.72 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 49.9 tp 178.62 -82.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.139 -0.937 . . . . 4.5 109.106 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' HG3' ' HG ' ' A' ' 4' ' ' LEU . 43.8 mt-10 -136.49 15.98 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.439 -0.346 . . . . 3.1000000000000001 110.257 176.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.556 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 2.5 tm-20 -55.79 -35.68 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 2.5099999999999998 111.442 -172.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.454 ' O ' HG13 ' A' ' 11' ' ' ILE . 15.4 m170 -70.37 -58.2 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.698 -0.401 . . . . 2.1600000000000001 111.064 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.657 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 82.9 mt -70.47 -60.92 1.98 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.378 0.609 . . . . 0.34000000000000002 111.37 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -69.93 -23.2 63.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.577 -0.738 . . . . 2.4100000000000001 109.725 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.604 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -65.2 -43.37 95.52 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.467 -0.873 . . . . 0.44 111.877 174.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 7' ' ' HIS . 84.0 mt -65.36 -41.29 90.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.178 0.513 . . . . 1.1599999999999999 110.08 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.18 -42.27 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 0.56999999999999995 110.357 175.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.81 -37.22 85.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.514 -0.767 . . . . 1.4199999999999999 111.007 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 10' ' ' GLY . 45.6 mm -61.34 -47.66 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.0600000000000001 110.474 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.1 t80 -68.43 -36.14 78.63 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.67 -0.493 . . . . 2.5699999999999998 109.67 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.36 -24.38 67.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.487 -0.779 . . . . 2.23 111.114 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -79.1 -59.4 2.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 2.77 110.953 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.406 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 93.9 m-85 -74.85 -30.36 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.407 -0.36 . . . . 6.25 111.177 -175.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.9 m -119.16 74.92 1.01 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.402 0.62 . . . . 3.0099999999999998 109.855 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -73.81 153.65 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.508 -0.769 . . . . 4.1299999999999999 110.265 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -75.85 71.21 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.984 0.421 . . . . 7.2800000000000002 110.881 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.81 -30.58 71.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.723 0.773 . . . . 8.6999999999999993 109.043 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.96 -167.7 18.48 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.094 -1.202 . . . . 5.6699999999999999 110.094 177.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -71.47 96.91 1.56 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 117.228 0.514 . . . . 8.2699999999999996 110.069 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 57.68 50.45 10.8 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.69 -0.686 . . . . 7.5 110.271 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.64 130.46 41.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.273 -0.876 . . . . 5.6200000000000001 111.658 -176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 m 63.12 -89.66 0.03 OUTLIER 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.468 -0.787 . . . . 3.9399999999999999 111.829 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 45.4 mt 50.35 43.93 26.66 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 122.814 0.445 . . . . 2.9100000000000001 110.789 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -103.22 -177.92 3.51 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.475 -0.49 . . . . 1.3500000000000001 111.774 -173.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.3 ttmp? -61.24 -34.05 74.5 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 111.725 0.268 . . . . 1.3200000000000001 111.725 -174.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -44.48 94.71 Favored Glycine 0 C--O 1.235 0.209 0 C-N-CA 120.858 -0.687 . . . . 0.40000000000000002 113.013 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.22 -41.43 73.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.111 0.481 . . . . 2.4399999999999999 110.448 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.9 tp -62.75 -43.36 98.99 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.531 -0.758 . . . . 0.52000000000000002 109.904 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.8 tttt -56.99 -49.34 76.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 1.8700000000000001 110.935 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -55.59 -54.39 44.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.906 -0.588 . . . . 2.46 109.662 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -52.41 -57.28 10.32 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.964 -0.562 . . . . 0.45000000000000001 110.308 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 95.6 mt -59.22 -46.6 88.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.74 0.645 . . . . 0.45000000000000001 112.74 -173.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 49' ' ' LYS . 25.0 p -64.94 -35.25 80.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.887 0.328 . . . . 1.23 111.887 -174.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 9.7 ptmm? -96.9 -30.32 13.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.472 0.545 . . . . 1.6100000000000001 112.472 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.562 ' OE1' ' HB ' ' B' ' 2' ' ' THR . 67.3 mm-40 -90.91 -44.26 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.882 0.372 . . . . 1.6699999999999999 111.024 -173.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD22 HD11 ' B' ' 8' ' ' LEU . 19.9 mt -114.79 25.16 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.045 -0.525 . . . . 1.4199999999999999 110.356 -171.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.83 -40.99 31.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.088 -0.96 . . . . 0.78000000000000003 113.016 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.3 11.64 37.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.832 0.308 . . . . 2.1600000000000001 111.832 -172.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.401 HG21 ' CD1' ' B' ' 8' ' ' LEU . 19.1 m -108.86 -63.29 1.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.43 0.634 . . . . 0.66000000000000003 110.62 -177.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 51.7 mt -80.11 131.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.236 -0.893 . . . . 0.59999999999999998 109.493 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.75 125.57 21.82 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.571 -0.286 . . . . 1.6100000000000001 110.425 -176.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 18.2 m120 46.22 42.6 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.65 . . . . 1.48 111.696 176.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -64.33 -3.75 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.981 0.896 . . . . 0.55000000000000004 110.699 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.3 mmmm -84.32 -13.94 51.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.074 -0.966 . . . . 1.1100000000000001 109.833 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.44 128.57 35.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.17 -0.923 . . . . 1.5800000000000001 110.787 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.81 68.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.718 . . . . 0.92000000000000004 110.055 179.015 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.86 -37.96 85.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.944 -0.762 . . . . 0.67000000000000004 108.944 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.471 ' O ' HD13 ' A' ' 57' ' ' ILE . 30.9 t -71.12 -48.99 51.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.684 -1.144 . . . . 0.59999999999999998 109.457 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.1 mt -58.93 -37.46 67.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.32 -0.855 . . . . 0.41999999999999998 111.888 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -65.28 -45.08 85.87 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.826 -0.805 . . . . 1.53 108.826 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 39.0 mm-40 -53.95 -49.67 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.84 -1.073 . . . . 1.77 111.282 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -64.41 -52.42 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.682 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 94.1 t80 -57.04 -45.19 83.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.386 -0.824 . . . . 1.6799999999999999 110.453 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.22 -24.66 66.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.7 -0.682 . . . . 1.9199999999999999 110.842 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.97 73.06 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.71 -0.757 . . . . 0.53000000000000003 111.925 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.571 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -95.79 -43.99 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.089 -0.337 . . . . 0.57999999999999996 110.089 179.234 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' A' ' 65' ' ' GLN . 35.9 t70 -72.78 72.61 1.07 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.258 -0.883 . . . . 1.3999999999999999 110.058 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.71 -31.45 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.224 -0.898 . . . . 1.3 111.349 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -78.09 -9.46 59.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 2.7999999999999998 110.799 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HA ' ' OD2' ' A' ' 62' ' ' ASP . 52.0 mt-30 63.63 43.5 5.69 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.006 -0.997 . . . . 2.7200000000000002 111.799 173.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.56 1.8 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 2.1299999999999999 110.435 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 29.9 mt-10 58.76 40.48 23.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.331 -0.849 . . . . 2.02 110.583 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -135.47 117.22 15.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.416 -0.811 . . . . 2.1600000000000001 109.675 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 4.4 p -93.1 107.21 18.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.694 0.759 . . . . 1.8100000000000001 110.404 176.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -73.63 170.74 14.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 2.02 109.973 177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -59.83 -33.43 71.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.236 0.541 . . . . 2.1699999999999999 109.839 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 27.0 tt0 -65.97 -40.22 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.653 -0.703 . . . . 1.6599999999999999 111.0 174.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 34.0 mt-10 -78.0 -29.18 49.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.368 0.604 . . . . 1.99 110.072 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 78' ' ' VAL . 80.5 t80 -71.57 -21.05 61.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.805 -0.634 . . . . 1.9199999999999999 109.349 170.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.666 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.9 OUTLIER -69.66 -42.82 80.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.568 -0.742 . . . . 0.67000000000000004 109.559 176.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.606 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.3 p -66.3 -30.48 70.91 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.007 -0.542 . . . . 0.73999999999999999 109.986 172.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.2 tm? -58.39 -45.95 87.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.839 -0.43 . . . . 1.1499999999999999 109.839 175.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 74' ' ' PHE . 21.2 t -67.49 -26.66 36.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 116.382 -0.372 . . . . 0.33000000000000002 110.043 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -64.55 -48.29 75.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 0.42999999999999999 109.894 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.606 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.55 -40.57 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.425 -0.807 . . . . 0.40000000000000002 110.126 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.655 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.26 -38.4 60.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.548 -0.751 . . . . 0.28000000000000003 112.268 -174.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 90.4 mt -64.45 -35.96 82.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.147 -0.686 . . . . 0.33000000000000002 109.147 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -66.21 -39.7 89.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.015 -0.993 . . . . 1.6699999999999999 110.111 174.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.49 66.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.039 -0.528 . . . . 0.47999999999999998 111.318 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.52 -54.16 5.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.454 -0.339 . . . . 0.56999999999999995 111.531 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -85.28 -49.4 8.21 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.217 0.532 . . . . 2.6800000000000002 111.156 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.53 ' C ' ' H ' ' A' ' 89' ' ' THR . 25.4 t80 -85.2 23.6 1.25 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.37 -0.832 . . . . 1.8 109.993 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -46.46 20.42 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.223 1.935 . . . . 3.2599999999999998 116.223 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 87' ' ' TYR . 10.3 t -83.92 24.07 0.95 Allowed 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.437 0.695 . . . . 1.26 110.551 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 89' ' ' THR . 58.5 m-70 89.23 82.82 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 125.134 1.374 . . . . 3.4700000000000002 109.19 -173.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.723 ' C ' ' HE2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -72.23 -69.39 0.4 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.457 -1.247 . . . . 3.4700000000000002 110.766 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--O 1.25 1.08 0 N-CA-C 109.553 -0.536 . . . . 7.0899999999999999 109.553 -170.29 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.548 0.214 . . . . 6.4199999999999999 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.562 ' HB ' ' OE1' ' A' ' 40' ' ' GLU . 3.4 t -119.52 121.35 39.21 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.336 0.589 . . . . 4.2599999999999998 111.068 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -88.89 -52.04 5.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.765 -0.652 . . . . 6.04 109.605 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.424 ' HG ' ' HG3' ' B' ' 5' ' ' GLU . 49.7 tp 179.05 -82.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.209 -0.905 . . . . 4.5 109.07 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.424 ' HG3' ' HG ' ' B' ' 4' ' ' LEU . 43.4 mt-10 -136.38 16.03 3.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.509 -0.314 . . . . 3.1000000000000001 110.305 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.563 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 2.6 tm-20 -55.73 -35.64 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 2.5099999999999998 111.437 -172.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.447 ' O ' HG13 ' B' ' 11' ' ' ILE . 15.6 m170 -70.42 -58.01 4.18 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.993 -0.442 . . . . 2.1600000000000001 111.154 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.655 HD13 ' HB1' ' A' ' 81' ' ' ALA . 82.8 mt -70.68 -60.96 1.95 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.221 0.534 . . . . 0.34000000000000002 111.31 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -69.72 -23.35 63.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.524 -0.762 . . . . 2.4100000000000001 109.701 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.617 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -65.1 -43.47 95.6 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.436 -0.888 . . . . 0.44 111.837 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.8 mt -65.46 -41.33 90.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.097 0.475 . . . . 1.1599999999999999 109.977 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.14 -42.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.552 -0.749 . . . . 0.56999999999999995 110.439 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.72 -37.07 85.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.553 -0.749 . . . . 1.4199999999999999 110.992 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 10' ' ' GLY . 45.7 mm -61.51 -47.81 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.373 -0.376 . . . . 2.0600000000000001 110.479 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.485 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.2 t80 -68.31 -36.11 78.82 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 121.142 0.496 . . . . 2.5800000000000001 109.678 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -62.39 -24.19 67.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.525 -0.761 . . . . 2.23 111.093 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -79.36 -59.08 2.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 2.77 111.013 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.41 ' CE1' ' HD3' ' B' ' 39' ' ' LYS . 93.8 m-85 -75.11 -30.26 60.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 6.25 111.277 -176.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.1 m -119.23 74.52 0.99 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.46 0.647 . . . . 3.02 109.857 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.18 154.12 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.595 -0.73 . . . . 4.1200000000000001 110.314 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -76.36 71.11 3.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.771 0.319 . . . . 7.2800000000000002 111.125 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.76 -30.82 71.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.767 0.794 . . . . 8.7100000000000009 108.965 173.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.41 -168.01 18.56 Favored Glycine 0 N--CA 1.439 -1.126 0 CA-C-N 114.633 -1.167 . . . . 5.6799999999999997 110.222 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.12 96.5 1.36 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 117.042 0.421 . . . . 8.2699999999999996 110.121 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 57.56 50.9 10.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.641 -0.709 . . . . 7.5 110.25 -176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.01 130.68 42.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.291 -0.868 . . . . 5.6200000000000001 111.582 -176.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 m 63.23 -89.97 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.541 -0.754 . . . . 3.9500000000000002 111.734 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 45.4 mt 50.6 43.68 27.51 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 122.816 0.446 . . . . 2.9100000000000001 110.726 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.474 -0.49 . . . . 1.3500000000000001 111.894 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.541 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.3 ttmp? -60.85 -34.17 74.18 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.658 0.244 . . . . 1.3200000000000001 111.658 -174.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.98 -44.37 94.57 Favored Glycine 0 C--N 1.328 0.107 0 C-N-CA 120.819 -0.705 . . . . 0.40000000000000002 113.008 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.6 -41.25 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.139 0.495 . . . . 2.4300000000000002 110.359 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 26.9 tp -62.64 -43.35 99.03 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.526 -0.761 . . . . 0.52000000000000002 110.05 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.8 tttt -57.08 -49.2 76.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.797 -0.638 . . . . 1.8700000000000001 110.976 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -55.63 -54.27 46.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.022 -0.535 . . . . 2.4500000000000002 109.742 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.54 -57.18 10.77 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 116.001 -0.545 . . . . 0.45000000000000001 110.389 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 95.7 mt -59.16 -46.79 87.45 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 112.7 0.63 . . . . 0.45000000000000001 112.7 -173.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.485 HG22 ' HA ' ' B' ' 49' ' ' LYS . 26.2 p -64.75 -35.6 81.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.781 0.289 . . . . 1.23 111.781 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.41 ' HD3' ' CE1' ' B' ' 18' ' ' TYR . 9.7 ptmm? -96.57 -30.51 13.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 1.6200000000000001 112.492 -176.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.579 ' OE1' ' HB ' ' A' ' 2' ' ' THR . 67.1 mm-40 -90.8 -44.41 9.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 1.6699999999999999 110.998 -173.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.563 HD22 HD11 ' A' ' 8' ' ' LEU . 19.3 mt -114.65 25.24 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 1.4199999999999999 110.359 -171.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.542 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.8 -41.15 31.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.029 -0.987 . . . . 0.78000000000000003 112.952 -177.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -102.18 11.46 38.23 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.978 0.362 . . . . 2.1600000000000001 111.978 -172.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.6 m -108.64 -63.35 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.423 0.63 . . . . 0.66000000000000003 110.479 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -80.26 131.22 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.28 -0.873 . . . . 0.59999999999999998 109.517 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.465 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -55.39 125.57 21.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 123.313 0.383 . . . . 1.6100000000000001 110.403 -176.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 17.2 m120 46.34 42.53 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.48 111.723 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -64.24 -3.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.91 0.862 . . . . 0.56000000000000005 110.592 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.3 mmmm -84.28 -14.27 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.224 -0.898 . . . . 1.1100000000000001 109.781 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.11 128.42 35.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.222 -0.899 . . . . 1.5900000000000001 110.722 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.18 -26.92 68.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.606 -0.725 . . . . 0.92000000000000004 110.045 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.76 -37.89 85.51 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.984 -0.747 . . . . 0.67000000000000004 108.984 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 57' ' ' ILE . 30.4 t -71.39 -48.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.54 -1.209 . . . . 0.59999999999999998 109.337 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.446 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.2 mt -58.96 -37.53 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.41 -0.814 . . . . 0.41999999999999998 111.866 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.9 OUTLIER -65.43 -44.99 85.64 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.8 -0.815 . . . . 1.53 108.8 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 33.2 mm-40 -53.73 -49.86 67.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.892 -1.049 . . . . 1.77 111.355 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.36 -52.35 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.742 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.541 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 94.1 t80 -57.16 -45.23 83.82 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.298 -0.864 . . . . 1.6699999999999999 110.311 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.13 -24.6 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.717 -0.674 . . . . 1.9099999999999999 110.943 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.4 -26.02 72.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.723 -0.751 . . . . 0.53000000000000003 111.871 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.556 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.4 OUTLIER -95.73 -44.06 7.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.083 -0.34 . . . . 0.58999999999999997 110.083 179.386 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.466 ' OD2' ' HA ' ' B' ' 65' ' ' GLN . 35.8 t70 -72.96 72.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.366 -0.834 . . . . 1.3999999999999999 110.084 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.97 62.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.848 . . . . 1.3100000000000001 111.35 -176.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.78 -9.35 58.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.059 -0.519 . . . . 2.7999999999999998 110.843 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.466 ' HA ' ' OD2' ' B' ' 62' ' ' ASP . 52.0 mt-30 63.38 43.89 5.81 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.116 -0.947 . . . . 2.7200000000000002 111.812 173.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -107.7 1.48 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 2.1400000000000001 110.492 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.414 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 29.5 mt-10 59.06 40.25 22.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.356 -0.838 . . . . 2.0099999999999998 110.502 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -135.28 117.22 15.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.384 -0.825 . . . . 2.1600000000000001 109.732 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 4.4 p -93.09 107.21 18.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.67 0.748 . . . . 1.8100000000000001 110.435 176.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.46 170.87 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 2.02 109.833 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -60.09 -33.47 72.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.1 0.476 . . . . 2.1800000000000002 109.763 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.565 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 26.6 tt0 -65.81 -40.36 91.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.76 -0.654 . . . . 1.6699999999999999 110.942 174.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 33.9 mt-10 -77.89 -29.24 50.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.343 0.592 . . . . 1.99 110.013 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.529 ' O ' HG23 ' B' ' 78' ' ' VAL . 80.8 t80 -71.42 -21.22 62.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.427 0.632 . . . . 1.9199999999999999 109.302 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.646 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.9 OUTLIER -69.58 -42.95 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.529 -0.759 . . . . 0.67000000000000004 109.527 176.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.614 ' O ' HD13 ' B' ' 80' ' ' ILE . 1.6 p -66.06 -30.38 70.9 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.966 -0.561 . . . . 0.73999999999999999 110.035 172.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.556 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.2 tm? -58.69 -45.81 88.65 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.777 -0.453 . . . . 1.1399999999999999 109.777 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 74' ' ' PHE . 21.3 t -67.52 -26.74 36.34 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.999 -0.371 . . . . 0.33000000000000002 109.999 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -64.52 -48.2 76.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.154 0.502 . . . . 0.42999999999999999 109.985 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.614 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.47 -40.61 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.366 -0.834 . . . . 0.40000000000000002 110.136 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.657 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -75.22 -38.48 60.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.555 -0.748 . . . . 0.28000000000000003 112.28 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 90.8 mt -64.32 -35.93 82.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.618 0.723 . . . . 0.33000000000000002 109.116 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.666 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -66.27 -39.77 89.65 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.023 -0.99 . . . . 1.6699999999999999 110.076 174.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.56 66.84 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.142 -0.481 . . . . 0.47999999999999998 111.242 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.62 -53.96 6.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 0.56999999999999995 111.589 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -85.3 -49.79 7.88 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.454 0.645 . . . . 2.6800000000000002 111.12 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.523 ' C ' ' H ' ' B' ' 89' ' ' THR . 25.1 t80 -84.8 23.37 1.19 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.359 -0.837 . . . . 1.8 109.969 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -46.32 20.73 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 116.237 1.94 . . . . 3.27 116.237 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.523 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.2 t -84.32 24.04 1.02 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.348 0.659 . . . . 1.27 110.527 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' B' ' 89' ' ' THR . 58.9 m-70 89.38 82.38 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.845 0 C-N-CA 124.988 1.315 . . . . 3.4700000000000002 109.38 -173.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.727 ' HE2' ' C ' ' B' ' 91' ' ' LYS . 0.0 OUTLIER -71.94 -69.49 0.39 Allowed 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.525 -1.216 . . . . 3.4700000000000002 110.75 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--O 1.249 1.055 0 N-CA-C 109.488 -0.56 . . . . 7.0800000000000001 109.488 -170.102 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.977 -0.379 . . . . 6.4199999999999999 109.977 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.56 HG23 ' HA ' ' B' ' 40' ' ' GLU . 91.6 m -54.24 135.87 43.7 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.325 -0.25 . . . . 4.25 110.325 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -110.17 -18.12 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.793 0.33 . . . . 6.0499999999999998 110.689 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.668 ' HA ' ' O ' ' B' ' 40' ' ' GLU . 95.4 mt 65.94 -121.83 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.612 -0.722 . . . . 4.5 111.259 176.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' HG2' ' OG1' ' B' ' 44' ' ' THR . 20.7 mt-10 -84.09 -1.37 54.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.793 -0.185 . . . . 3.1000000000000001 111.393 -174.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.99 -47.73 44.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.002 0.43 . . . . 2.5099999999999998 110.638 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -48.25 10.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.487 -0.324 . . . . 2.1600000000000001 111.636 -175.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.781 HD13 ' HB1' ' B' ' 81' ' ' ALA . 68.8 mt -63.32 -61.01 2.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.247 0.546 . . . . 0.34000000000000002 111.259 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.9 -27.54 68.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.51 -0.768 . . . . 2.4100000000000001 109.572 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -45.42 93.4 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.704 -0.76 . . . . 0.44 112.348 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.68 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.983 0.42 . . . . 1.1599999999999999 110.095 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.94 -43.74 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.609 -0.723 . . . . 0.56999999999999995 111.005 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.31 -36.53 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.883 -0.599 . . . . 1.4199999999999999 111.035 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.64 -40.72 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 2.0600000000000001 110.667 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 17.8 m-85 -63.48 -43.27 97.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.236 0.541 . . . . 2.5699999999999998 109.927 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.16 -21.65 66.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.36 -0.836 . . . . 2.23 110.896 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -82.1 -41.39 20.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 2.77 111.571 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.28 -10.46 25.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.761 0.282 . . . . 6.25 111.761 -175.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -113.62 139.88 48.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.916 0.388 . . . . 3.0099999999999998 110.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p -65.98 121.57 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 4.1299999999999999 111.198 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -78.4 -26.77 46.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.275 -0.42 . . . . 7.2800000000000002 111.141 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -97.97 40.96 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.393 -0.367 . . . . 8.6999999999999993 110.746 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.32 -45.77 92.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.971 -0.633 . . . . 5.6699999999999999 111.928 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 73.11 -44.32 0.59 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.481 0.713 . . . . 8.2699999999999996 111.862 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -112.09 -89.71 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.814 0.34 . . . . 7.5 110.648 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -146.86 33.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.362 0.601 . . . . 5.6200000000000001 110.202 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -65.85 -19.49 65.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.597 -0.729 . . . . 3.9399999999999999 111.099 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.47 67.97 2.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.431 0.634 . . . . 2.9100000000000001 109.587 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 p -103.03 -171.06 1.88 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.547 -0.751 . . . . 1.3500000000000001 111.029 -176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.625 ' HB2' ' OE2' ' A' ' 67' ' ' GLU . 13.5 ttmm -53.91 -29.67 42.96 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 111.817 0.303 . . . . 1.3200000000000001 111.817 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.09 89.38 Favored Glycine 0 C--O 1.235 0.168 0 C-N-CA 121.203 -0.522 . . . . 0.40000000000000002 113.222 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.93 -44.07 73.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.255 0.55 . . . . 2.4399999999999999 110.189 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.4 tp -63.55 -50.46 69.42 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.168 -0.924 . . . . 0.52000000000000002 109.663 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HB2' HG21 ' A' ' 54' ' ' ILE . 41.5 tttp -53.35 -47.65 69.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.319 -0.855 . . . . 1.8700000000000001 111.618 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 9.9 tt0 -54.73 -59.62 4.46 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.4 -0.364 . . . . 2.46 110.247 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.571 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 10.4 tt -52.17 -51.8 55.88 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.92 -0.582 . . . . 0.45000000000000001 110.683 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 71.6 mt -58.42 -52.49 65.41 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.04 0.756 . . . . 0.45000000000000001 113.04 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 49' ' ' LYS . 19.7 p -63.07 -38.73 92.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.418 -0.356 . . . . 1.23 111.816 -172.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.3 ptmt -96.71 -31.29 12.75 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.296 0.85 . . . . 1.6100000000000001 113.296 -174.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.638 ' O ' ' HA ' ' B' ' 4' ' ' LEU . 11.5 tp10 -98.0 -39.79 8.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.638 0.256 . . . . 1.6699999999999999 111.425 -168.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.508 HD22 HD11 ' B' ' 8' ' ' LEU . 38.0 mt -111.76 27.99 9.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.281 0.563 . . . . 1.4199999999999999 109.639 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -55.28 -26.33 39.59 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 114.805 -1.089 . . . . 0.78000000000000003 113.341 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -111.67 17.71 19.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.536 0.569 . . . . 2.1600000000000001 112.536 -172.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.473 ' OG1' ' HG2' ' B' ' 5' ' ' GLU . 28.4 m -119.13 -67.49 0.98 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.447 0.641 . . . . 0.66000000000000003 110.841 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 27.2 mt -73.64 135.08 28.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.987 -1.006 . . . . 0.59999999999999998 110.442 -174.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 2.3 pptp? -56.13 126.61 26.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 123.248 0.342 . . . . 1.6100000000000001 110.798 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.45 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 9.5 m120 46.22 40.42 7.45 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 123.847 0.717 . . . . 1.48 111.552 175.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 37' ' ' LEU . 9.6 tp -61.26 -8.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.038 0.923 . . . . 0.55000000000000004 110.906 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.3 OUTLIER -82.42 -17.41 45.49 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.804 -1.089 . . . . 1.1100000000000001 110.183 179.253 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.15 128.65 34.74 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.567 -0.742 . . . . 1.5800000000000001 111.0 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.4 tmtp? -62.28 -30.74 71.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.818 -1.083 . . . . 0.92000000000000004 109.855 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.32 -40.25 89.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.19 -0.67 . . . . 0.67000000000000004 109.19 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 57' ' ' ILE . 30.7 t -66.75 -47.06 84.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.633 -1.167 . . . . 0.59999999999999998 109.332 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.418 HG21 ' HB2' ' A' ' 34' ' ' LYS . 68.2 mt -60.09 -41.98 88.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.783 -1.098 . . . . 0.41999999999999998 111.749 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 59' ' ' GLN . 6.7 t0 -64.37 -48.28 76.08 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.75 -0.833 . . . . 1.53 108.75 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 30.6 mm-40 -54.5 -41.2 69.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.818 -1.083 . . . . 1.77 111.375 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 53' ' ' VAL . 78.9 mt -70.03 -49.63 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.588 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 30' ' ' LYS . 39.7 t80 -56.5 -43.4 79.67 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.873 -0.603 . . . . 1.6799999999999999 109.881 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 80.3 mt-30 -63.58 -29.04 70.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.841 -0.618 . . . . 1.9199999999999999 110.57 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.15 -25.14 75.67 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.84 -0.695 . . . . 0.53000000000000003 111.571 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.31 7.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.983 -0.747 . . . . 0.57999999999999996 108.983 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.73 67.07 7.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.913 -1.039 . . . . 1.3999999999999999 109.649 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.61 -21.11 63.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.198 -0.91 . . . . 1.3 111.132 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -89.35 -3.2 58.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.667 -0.697 . . . . 2.7999999999999998 111.148 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 58.52 40.39 23.91 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.414 -0.812 . . . . 2.7200000000000002 112.007 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -98.46 -6.98 29.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.29 0.567 . . . . 2.1299999999999999 110.142 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.625 ' OE2' ' HB2' ' A' ' 30' ' ' LYS . 21.3 tp10 61.61 46.86 6.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.752 -1.113 . . . . 2.02 110.453 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.88 118.92 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 2.1600000000000001 110.044 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.0 p -101.05 114.88 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.404 0.621 . . . . 1.8100000000000001 111.828 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.73 170.98 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.547 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -59.64 -29.66 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.754 0.311 . . . . 2.1699999999999999 111.019 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.617 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.9 tt0 -68.1 -38.22 82.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.499 0.666 . . . . 1.6599999999999999 110.692 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 28.2 mt-10 -75.9 -32.17 59.52 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.099 -0.501 . . . . 1.99 110.155 177.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.539 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 21.8 m-85 -62.85 -27.7 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.288 0.566 . . . . 1.9199999999999999 109.709 168.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.617 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -64.92 -41.43 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.529 -0.759 . . . . 0.67000000000000004 109.503 176.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.575 ' O ' HD13 ' A' ' 80' ' ' ILE . 64.3 m -61.56 -35.62 78.3 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.314 -0.857 . . . . 0.73999999999999999 110.201 174.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.1 tm? -58.08 -45.36 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.093 -0.336 . . . . 1.1499999999999999 110.093 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.562 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.2 t -63.64 -33.28 60.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 109.593 -0.521 . . . . 0.33000000000000002 109.593 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.48 -50.44 73.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.957 -0.565 . . . . 0.42999999999999999 110.128 176.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.21 -44.11 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 0.40000000000000002 110.235 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.813 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -68.86 -43.93 74.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.93 . . . . 0.28000000000000003 112.344 -175.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -67.4 -33.0 74.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.164 0.507 . . . . 0.33000000000000002 110.188 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.477 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 0.4 OUTLIER -64.28 -49.64 71.01 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.35 -0.611 . . . . 1.6699999999999999 109.35 171.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.39 -23.48 64.37 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.932 0.345 . . . . 0.47999999999999998 111.932 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.04 -60.56 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.844 0.313 . . . . 0.56999999999999995 111.844 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -80.2 -38.73 30.58 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.766 0.793 . . . . 2.6800000000000002 110.502 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.553 ' C ' ' H ' ' A' ' 89' ' ' THR . 36.8 t80 -89.96 23.4 2.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.711 -1.131 . . . . 1.8 109.408 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -46.98 19.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 115.856 1.799 . . . . 3.2599999999999998 115.856 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.553 ' H ' ' C ' ' A' ' 87' ' ' TYR . 12.1 t -86.42 15.2 5.64 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.858 -0.793 . . . . 1.26 108.858 174.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 89' ' ' THR . 14.4 m-70 87.33 86.4 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.223 -1.353 . . . . 3.4700000000000002 109.705 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HG3' ' HB3' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -54.28 -23.77 16.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.795 -1.093 . . . . 3.4700000000000002 110.515 173.237 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.071 -0.966 . . . . 7.0899999999999999 110.575 -179.725 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.858 -0.423 . . . . 6.4199999999999999 109.858 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.566 HG23 ' HA ' ' A' ' 40' ' ' GLU . 93.2 m -54.87 135.6 47.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.663 0.268 . . . . 4.2599999999999998 110.37 174.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -109.55 -18.59 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.77 0.319 . . . . 6.04 110.743 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.638 ' HA ' ' O ' ' A' ' 40' ' ' GLU . 95.5 mt 66.38 -122.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.641 -0.709 . . . . 4.5 111.164 176.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.473 ' HG2' ' OG1' ' A' ' 44' ' ' THR . 20.3 mt-10 -83.77 -1.27 53.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.752 -0.204 . . . . 3.1000000000000001 111.355 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -49.09 -47.88 44.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 2.5099999999999998 110.608 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.64 -48.09 11.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.465 -0.334 . . . . 2.1600000000000001 111.798 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.813 HD13 ' HB1' ' A' ' 81' ' ' ALA . 68.6 mt -63.34 -60.99 2.65 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.306 0.574 . . . . 0.34000000000000002 111.325 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.78 -27.97 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.527 -0.761 . . . . 2.4100000000000001 109.536 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.1 -45.39 93.94 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.772 -0.728 . . . . 0.44 112.274 174.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 mm -62.89 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.006 0.432 . . . . 1.1599999999999999 110.053 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.88 -43.78 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.702 -0.681 . . . . 0.56999999999999995 110.948 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.27 -36.87 84.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 1.4199999999999999 110.917 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.37 -40.74 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 2.0600000000000001 110.698 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' B' ' 74' ' ' PHE . 17.9 m-85 -63.51 -43.22 97.84 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.221 0.534 . . . . 2.5800000000000001 109.877 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -65.28 -21.68 66.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.4 -0.818 . . . . 2.23 110.806 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -82.23 -41.44 20.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 2.77 111.527 -177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.4 -9.64 26.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.943 0.349 . . . . 6.25 111.943 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.3 t -114.1 140.24 48.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.912 0.387 . . . . 3.02 110.218 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p -66.24 121.65 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.69 -0.686 . . . . 4.1200000000000001 111.163 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -78.26 -27.38 47.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 7.2800000000000002 110.978 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' B' ' 22' ' ' LYS . 21.3 ptmt -97.97 42.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 8.7100000000000009 110.54 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.07 -45.77 93.47 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.915 -0.66 . . . . 5.6799999999999997 111.871 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 72.89 -44.13 0.58 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.472 0.709 . . . . 8.2699999999999996 111.793 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -112.46 -89.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.822 0.344 . . . . 7.5 110.792 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -146.85 33.31 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.396 0.617 . . . . 5.6200000000000001 110.178 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.0 m -66.08 -18.83 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.636 -0.711 . . . . 3.9500000000000002 111.144 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.81 68.02 2.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.411 0.624 . . . . 2.9100000000000001 109.556 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -103.15 -171.1 1.89 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.496 -0.775 . . . . 1.3500000000000001 111.063 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.627 ' HB2' ' OE2' ' B' ' 67' ' ' GLU . 13.4 ttmm -53.66 -29.99 41.15 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.882 0.327 . . . . 1.3200000000000001 111.882 -177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -40.93 88.73 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.2 -0.524 . . . . 0.40000000000000002 113.197 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.74 -44.25 74.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.18 0.515 . . . . 2.4300000000000002 110.173 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 32.4 tp -63.49 -50.5 69.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.172 -0.922 . . . . 0.52000000000000002 109.735 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.407 ' HB2' HG21 ' B' ' 54' ' ' ILE . 41.5 tttp -53.29 -47.9 68.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.306 -0.861 . . . . 1.8700000000000001 111.592 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 9.9 tt0 -54.61 -59.33 4.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.364 -0.38 . . . . 2.4500000000000002 110.272 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.578 ' O ' ' HB3' ' B' ' 40' ' ' GLU . 10.4 tt -52.38 -51.7 57.56 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.972 -0.558 . . . . 0.45000000000000001 110.624 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 72.1 mt -58.57 -52.56 65.14 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.883 0.697 . . . . 0.45000000000000001 112.883 -174.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.7 p -62.89 -38.75 92.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.401 -0.363 . . . . 1.23 111.97 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.2 ptmt -96.55 -31.74 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.162 0.801 . . . . 1.6200000000000001 113.162 -174.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.668 ' O ' ' HA ' ' A' ' 4' ' ' LEU . 11.2 tp10 -97.57 -39.86 8.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.628 0.251 . . . . 1.6699999999999999 111.461 -168.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 8' ' ' LEU . 38.6 mt -111.66 28.11 9.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.297 0.57 . . . . 1.4199999999999999 109.542 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' B' ' 48' ' ' ILE . . . -54.87 -27.02 39.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.766 -1.106 . . . . 0.78000000000000003 113.069 -176.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -111.33 17.48 20.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.611 0.597 . . . . 2.1600000000000001 112.611 -171.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.457 ' OG1' ' HG2' ' A' ' 5' ' ' GLU . 28.5 m -118.97 -67.42 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.493 0.664 . . . . 0.66000000000000003 110.954 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 27.1 mt -73.62 135.15 28.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.011 -0.995 . . . . 0.59999999999999998 110.489 -175.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.457 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 2.3 pptp? -56.07 126.87 27.85 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.283 0.365 . . . . 1.6100000000000001 110.78 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.457 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 9.5 m120 45.94 40.38 6.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 123.81 0.694 . . . . 1.48 111.672 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.544 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.6 tp -61.3 -8.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.932 0.872 . . . . 0.56000000000000005 110.9 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -17.17 46.82 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.815 -1.084 . . . . 1.1100000000000001 110.147 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.51 129.07 34.9 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.722 -0.672 . . . . 1.5900000000000001 110.95 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.571 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.4 tmtp? -62.74 -30.68 71.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 0.92000000000000004 109.716 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.43 -40.18 89.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.578 0.704 . . . . 0.67000000000000004 109.313 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.492 ' O ' HG13 ' B' ' 57' ' ' ILE . 31.1 t -66.73 -47.25 83.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.551 -1.204 . . . . 0.59999999999999998 109.249 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' B' ' 34' ' ' LYS . 69.0 mt -59.92 -42.08 88.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.725 -1.125 . . . . 0.41999999999999998 111.758 178.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' B' ' 59' ' ' GLN . 7.4 t0 -64.31 -48.33 76.04 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.781 -0.822 . . . . 1.53 108.781 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 34.8 mm-40 -54.55 -40.97 69.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.832 -1.076 . . . . 1.77 111.358 177.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 53' ' ' VAL . 78.3 mt -70.14 -49.59 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.591 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' B' ' 30' ' ' LYS . 39.8 t80 -56.68 -43.23 80.24 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.886 -0.597 . . . . 1.6699999999999999 109.854 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 80.2 mt-30 -63.79 -28.9 70.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.764 -0.653 . . . . 1.9099999999999999 110.584 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.34 -25.07 75.8 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.882 -0.675 . . . . 0.53000000000000003 111.624 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -94.37 -45.23 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.019 -0.734 . . . . 0.58999999999999997 109.019 177.688 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.7 67.07 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.885 -1.052 . . . . 1.3999999999999999 109.595 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.6 63.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.14 -0.936 . . . . 1.3100000000000001 111.072 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -88.73 -3.68 58.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 2.7999999999999998 111.242 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 58.77 40.63 22.84 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.523 -0.762 . . . . 2.7200000000000002 111.983 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -98.76 -6.67 28.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 2.1400000000000001 110.288 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.627 ' OE2' ' HB2' ' B' ' 30' ' ' LYS . 21.4 tp10 61.53 46.74 7.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.807 -1.088 . . . . 2.0099999999999998 110.399 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -148.03 118.7 7.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.431 -0.804 . . . . 2.1600000000000001 110.147 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 114.81 41.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.486 0.66 . . . . 1.8100000000000001 111.815 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.77 170.92 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 2.02 109.498 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.405 ' HA ' ' HB2' ' B' ' 74' ' ' PHE . 96.7 m-85 -59.6 -29.88 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.844 0.293 . . . . 2.1800000000000002 110.926 176.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.605 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.9 tt0 -67.8 -38.24 83.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.413 0.625 . . . . 1.6699999999999999 110.833 174.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 28.3 mt-10 -75.86 -32.06 59.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.068 -0.515 . . . . 1.99 110.12 177.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.547 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 21.7 m-85 -63.0 -27.85 69.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.589 -0.523 . . . . 1.9199999999999999 109.589 168.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.605 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -64.69 -41.46 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.585 -0.734 . . . . 0.67000000000000004 109.46 176.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.578 ' O ' HD13 ' B' ' 80' ' ' ILE . 58.7 m -61.58 -35.57 78.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.356 -0.838 . . . . 0.73999999999999999 110.235 174.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.574 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.1 tm? -58.19 -45.31 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.073 -0.343 . . . . 1.1399999999999999 110.073 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.561 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.1 t -63.6 -33.49 61.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.522 -0.547 . . . . 0.33000000000000002 109.522 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.21 -50.45 73.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 0.42999999999999999 110.128 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.578 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.34 -44.15 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.795 . . . . 0.40000000000000002 110.298 175.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.781 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -68.82 -43.89 74.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.146 -0.934 . . . . 0.28000000000000003 112.358 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 94.9 mt -67.38 -32.99 74.27 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.198 0.523 . . . . 0.33000000000000002 110.212 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.493 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 0.4 OUTLIER -64.33 -49.63 70.96 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.354 -0.61 . . . . 1.6699999999999999 109.354 171.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.59 64.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.963 0.357 . . . . 0.47999999999999998 111.963 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.98 -60.29 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.916 0.339 . . . . 0.56999999999999995 111.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -80.41 -38.66 29.8 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.624 0.726 . . . . 2.6800000000000002 110.568 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.558 ' C ' ' H ' ' B' ' 89' ' ' THR . 37.3 t80 -90.08 23.43 2.83 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.719 -1.128 . . . . 1.8 109.441 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.2 20.1 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 115.792 1.775 . . . . 3.27 115.792 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.558 ' H ' ' C ' ' B' ' 87' ' ' TYR . 12.1 t -86.77 15.49 5.71 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.934 -0.765 . . . . 1.27 108.934 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' B' ' 89' ' ' THR . 14.4 m-70 87.03 86.86 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 114.256 -1.338 . . . . 3.4700000000000002 109.572 -176.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.493 ' HG3' ' HB3' ' B' ' 83' ' ' LYS . 0.6 OUTLIER -54.71 -23.6 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.639 -1.164 . . . . 3.4700000000000002 110.462 173.14 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 117.898 -1.049 . . . . 7.0800000000000001 110.245 -179.574 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.805 0.336 . . . . 6.4199999999999999 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.8 m -145.06 97.03 2.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.056 0.455 . . . . 4.25 110.495 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -120.08 9.45 11.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.09 -0.504 . . . . 6.0499999999999998 110.611 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' B' ' 40' ' ' GLU . 3.0 mm? -74.89 -16.44 60.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.31 0.576 . . . . 4.5 110.057 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.52 1.95 10.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.503 -0.771 . . . . 3.1000000000000001 110.725 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.05 -28.64 64.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.431 0.634 . . . . 2.5099999999999998 110.148 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.527 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 93.2 m-70 -74.04 -46.46 43.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 2.1600000000000001 109.675 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.565 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 88.7 mt -60.14 -59.07 6.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.262 0.553 . . . . 0.34000000000000002 110.915 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.68 -26.19 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.493 -0.776 . . . . 2.4100000000000001 110.83 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -69.57 -33.41 71.95 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.089 -0.577 . . . . 0.44 111.773 176.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG21 HG21 ' A' ' 78' ' ' VAL . 30.8 mm -70.44 -37.8 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.549 0.69 . . . . 1.1599999999999999 109.219 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 83.6 t -64.92 -27.13 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.55 -0.75 . . . . 0.56999999999999995 110.472 175.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.33 -44.05 72.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.8 -0.636 . . . . 1.4199999999999999 110.263 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 30.4 pt -72.19 -23.44 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.693 -0.403 . . . . 2.0600000000000001 110.574 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.673 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 13.6 m-30 -61.24 -46.49 90.18 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.142 -0.688 . . . . 2.5699999999999998 109.142 169.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.471 ' CE1' HG21 ' A' ' 20' ' ' VAL . 22.9 t60 -67.09 -20.97 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.928 -1.033 . . . . 2.23 110.393 177.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 30.3 tt0 -71.63 -53.07 14.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.05 -0.523 . . . . 2.77 112.003 -177.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.673 ' CE2' ' HA ' ' A' ' 15' ' ' PHE . 15.8 p90 -70.86 -26.42 63.25 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 120.329 -0.549 . . . . 6.25 111.046 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 p -93.5 -179.58 5.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.68 -0.489 . . . . 3.0099999999999998 109.68 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 16' ' ' HIS . 72.3 t 69.2 122.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 O-C-N 123.35 0.406 . . . . 4.1299999999999999 110.726 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 67.24 93.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.654 -0.703 . . . . 7.2800000000000002 109.579 -174.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -54.88 110.68 0.69 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.209 -0.905 . . . . 8.6999999999999993 111.509 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.12 -39.66 5.07 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.799 -0.715 . . . . 5.6699999999999999 111.943 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -151.45 55.68 0.86 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.268 0.556 . . . . 8.2699999999999996 110.013 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 60.68 83.38 0.14 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.23 -0.896 . . . . 7.5 110.441 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.534 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 10.9 p-10 -65.51 105.83 1.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.725 0.774 . . . . 5.6200000000000001 109.818 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.436 HG23 ' HB2' ' A' ' 29' ' ' SER . 9.0 t -132.89 3.94 3.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.714 -0.676 . . . . 3.9399999999999999 111.348 -174.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 68.9 mt 62.38 40.54 10.99 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.998 -0.546 . . . . 2.9100000000000001 110.739 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.436 ' HB2' HG23 ' A' ' 27' ' ' THR . 11.1 t -99.58 -171.5 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.198 -0.455 . . . . 1.3500000000000001 109.874 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 18.7 ttmt -61.99 -25.82 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.616 0.228 . . . . 1.3200000000000001 111.616 -173.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.48 99.69 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.736 -0.745 . . . . 0.40000000000000002 112.532 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.534 ' OE2' ' HA ' ' A' ' 26' ' ' ASP . 6.2 mm-40 -66.05 -43.36 87.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.473 0.654 . . . . 2.4399999999999999 109.823 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 16.9 tp -60.87 -49.94 75.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.89 -1.05 . . . . 0.52000000000000002 109.992 176.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HA ' HD13 ' A' ' 54' ' ' ILE . 1.6 tmtp? -56.23 -49.56 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.964 -1.016 . . . . 1.8700000000000001 110.77 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 56.1 tt0 -52.13 -61.9 1.98 Allowed 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 123.343 0.402 . . . . 2.46 110.017 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.412 HD12 ' HD2' ' A' ' 18' ' ' TYR . 10.5 tt -53.32 -53.65 47.87 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.567 0.542 . . . . 0.45000000000000001 111.265 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 48' ' ' ILE . 63.2 mt -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.849 0.685 . . . . 0.45000000000000001 112.849 -173.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 30.7 p -64.78 -34.9 79.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.851 0.315 . . . . 1.23 111.851 -174.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.5 ptmm? -97.34 -34.35 11.09 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.865 0.691 . . . . 1.6100000000000001 112.865 -175.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE1' ' HG3' ' A' ' 39' ' ' LYS . 7.0 mm-40 -96.17 -36.35 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 1.6699999999999999 111.03 -170.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 40' ' ' GLU . 8.3 mp -115.09 27.43 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.285 0.564 . . . . 1.4199999999999999 109.706 -176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -53.01 -34.01 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.725 -1.125 . . . . 0.78000000000000003 113.795 -173.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -109.72 9.74 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.179 0.514 . . . . 2.1600000000000001 111.03 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.6 -63.52 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.433 0.635 . . . . 0.66000000000000003 110.469 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.568 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 54.2 mt -80.66 136.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.246 -0.888 . . . . 0.59999999999999998 110.16 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.65 124.12 17.26 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.643 -0.253 . . . . 1.6100000000000001 111.223 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 49' ' ' LYS . 2.6 t-20 42.87 46.87 4.71 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.83 0.824 . . . . 1.48 110.709 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.671 HD11 HD13 ' A' ' 37' ' ' LEU . 5.5 tp -66.04 3.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.976 -1.011 . . . . 0.55000000000000004 110.148 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 47' ' ' ASN . 13.8 mmmm -97.64 -1.34 43.89 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.742 -0.663 . . . . 1.1100000000000001 109.64 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 3.0 t70 -101.2 133.6 45.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.329 -0.85 . . . . 1.5800000000000001 110.484 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.43 -20.39 65.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.618 -0.719 . . . . 0.92000000000000004 110.322 178.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -71.17 -36.3 71.95 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.736 -0.838 . . . . 0.67000000000000004 108.736 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.8 t -75.78 -45.39 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.816 -1.083 . . . . 0.59999999999999998 109.275 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 34' ' ' LYS . 59.4 mt -59.53 -38.26 74.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.786 -1.097 . . . . 0.41999999999999998 111.011 176.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.26 -49.59 71.28 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.67 -0.695 . . . . 1.53 110.05 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 19.8 mm-40 -49.36 -45.94 46.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.063 -0.971 . . . . 1.77 111.149 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.636 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.7 mt -72.5 -54.42 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.462 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 85.2 t80 -50.96 -50.74 57.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.856 -0.611 . . . . 1.6799999999999999 111.062 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -69.82 -20.68 63.43 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.274 -0.875 . . . . 1.9199999999999999 110.688 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.37 -23.91 69.58 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.061 -0.59 . . . . 0.53000000000000003 112.137 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -92.96 -43.1 9.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.374 -0.973 . . . . 0.57999999999999996 108.374 177.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.36 73.3 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 1.3999999999999999 109.987 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.66 -16.75 63.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 1.3 110.63 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -20.29 56.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 2.7999999999999998 109.711 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 59.96 40.78 18.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.051 -0.977 . . . . 2.7200000000000002 110.849 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.8 1.21 28.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 2.1299999999999999 110.054 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 66.67 36.59 4.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.064 -0.971 . . . . 2.02 109.679 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -143.08 117.59 9.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.714 -1.13 . . . . 2.1600000000000001 110.233 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 18.3 m -110.84 125.39 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.123 0.487 . . . . 1.8100000000000001 110.452 173.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.43 170.37 16.25 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.178 -0.675 . . . . 2.02 109.178 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.81 -29.51 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.955 0.407 . . . . 2.1699999999999999 110.4 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 28.3 tt0 -69.32 -41.5 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 1.6599999999999999 111.484 175.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.06 -33.32 67.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.111 0.481 . . . . 1.99 109.888 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.649 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 1.2 t80 -68.11 -21.29 64.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.719 0.771 . . . . 1.9199999999999999 109.083 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.643 HD13 ' HG2' ' B' ' 83' ' ' LYS . 0.4 OUTLIER -71.53 -35.22 55.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.194 -0.912 . . . . 0.67000000000000004 109.477 174.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.644 ' O ' HD13 ' A' ' 80' ' ' ILE . 28.4 m -64.44 -35.71 81.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.49 -0.777 . . . . 0.73999999999999999 109.33 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.649 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.1 tm? -54.54 -47.0 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.988 0.423 . . . . 1.1499999999999999 110.1 175.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.5 t -63.94 -33.25 60.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 CA-C-N 115.958 -0.565 . . . . 0.33000000000000002 109.872 -177.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.8 -45.2 94.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.334 0.587 . . . . 0.42999999999999999 110.319 175.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.644 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -61.02 -41.3 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.25 -0.886 . . . . 0.40000000000000002 110.273 175.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' B' ' 8' ' ' LEU . . . -69.83 -34.49 73.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 0.28000000000000003 111.431 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -68.92 -40.22 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.501 . . . . 0.33000000000000002 110.115 176.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' B' ' 75' ' ' ILE . 7.8 mmmm -59.25 -49.17 78.87 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 109.06 -0.718 . . . . 1.6699999999999999 109.06 171.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 88' ' ' HIS . . . -62.13 -21.61 65.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.276 -0.42 . . . . 0.47999999999999998 111.975 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -79.94 -53.53 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.005 0.372 . . . . 0.56999999999999995 112.005 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.95 -39.17 18.45 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.78 0.8 . . . . 2.6800000000000002 110.497 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.534 ' C ' ' H ' ' A' ' 89' ' ' THR . 33.6 t80 -89.66 23.44 2.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.48 -1.236 . . . . 1.8 109.02 177.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 18.4 t-80 -48.53 19.89 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.068 1.747 . . . . 3.2599999999999998 115.083 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.534 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.7 t -75.28 -31.29 60.68 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.599 -0.889 . . . . 1.26 108.599 172.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.575 ' C ' ' H ' ' A' ' 92' ' ' GLU . 3.1 m80 177.14 -56.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.986 0.915 . . . . 3.4700000000000002 110.14 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.515 ' HE2' HG23 ' A' ' 80' ' ' ILE . 2.1 ttpp 70.15 -29.25 0.18 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.49 1.116 . . . . 3.4700000000000002 110.127 -167.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.575 ' H ' ' C ' ' A' ' 90' ' ' HIS . 43.7 mt-10 . . . . . 0 C--O 1.242 0.689 0 CA-C-N 115.277 -0.874 . . . . 7.0899999999999999 110.434 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.765 0.317 . . . . 6.4199999999999999 110.287 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 78.3 m -145.03 97.05 2.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.23 -0.441 . . . . 4.2599999999999998 110.427 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -120.23 9.38 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.144 -0.48 . . . . 6.04 110.641 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' GLU . 3.0 mm? -74.87 -16.29 60.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.247 0.546 . . . . 4.5 110.066 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.56 1.73 11.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.558 -0.746 . . . . 3.1000000000000001 110.774 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -57.95 -28.52 64.4 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.44 0.638 . . . . 2.5099999999999998 110.255 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.53 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 93.3 m-70 -74.1 -46.6 41.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 2.1600000000000001 109.611 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.536 ' CD1' ' HB1' ' A' ' 81' ' ' ALA . 88.5 mt -60.08 -59.06 6.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.262 0.553 . . . . 0.34000000000000002 110.893 174.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.86 -26.06 67.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.625 -0.716 . . . . 2.4100000000000001 110.774 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.527 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -69.51 -33.39 72.18 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.96 -0.638 . . . . 0.44 111.832 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.55 HG21 HG21 ' B' ' 78' ' ' VAL . 30.7 mm -70.38 -37.86 72.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.648 0.737 . . . . 1.1599999999999999 109.196 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' B' ' 15' ' ' PHE . 82.3 t -64.95 -27.16 41.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.535 -0.757 . . . . 0.56999999999999995 110.424 175.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.2 -44.28 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 1.4199999999999999 110.354 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 30.2 pt -72.12 -23.46 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.686 -0.405 . . . . 2.0600000000000001 110.663 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.682 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 13.5 m-30 -61.07 -46.15 91.85 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.27 -0.641 . . . . 2.5800000000000001 109.27 169.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.474 ' CE1' HG21 ' B' ' 20' ' ' VAL . 23.2 t60 -67.59 -20.66 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.957 -1.019 . . . . 2.23 110.441 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 30.3 tt0 -71.71 -53.5 13.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 2.77 111.879 -177.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.682 ' CE2' ' HA ' ' B' ' 15' ' ' PHE . 15.8 p90 -70.67 -25.78 63.14 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.267 -0.573 . . . . 6.25 111.18 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 36.2 p -94.15 -179.32 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.676 -0.49 . . . . 3.02 109.676 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' B' ' 16' ' ' HIS . 72.4 t 68.8 122.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 123.347 0.404 . . . . 4.1200000000000001 110.884 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 67.17 93.44 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.807 -0.633 . . . . 7.2800000000000002 109.736 -173.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -55.19 110.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.272 -0.876 . . . . 8.7100000000000009 111.57 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.95 -39.62 5.14 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.874 -0.679 . . . . 5.6799999999999997 111.932 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -151.29 55.9 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.279 0.562 . . . . 8.2699999999999996 109.848 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 60.75 82.45 0.16 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.152 -0.931 . . . . 7.5 110.632 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.524 ' HA ' ' OE2' ' B' ' 32' ' ' GLU . 10.9 p-10 -64.96 105.83 1.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.794 0.807 . . . . 5.6200000000000001 109.883 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.429 HG23 ' HB2' ' B' ' 29' ' ' SER . 8.2 t -132.71 4.21 3.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 3.9500000000000002 111.383 -174.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 68.4 mt 62.21 40.48 11.56 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.183 0.516 . . . . 2.9100000000000001 110.887 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.429 ' HB2' HG23 ' B' ' 27' ' ' THR . 11.2 t -99.53 -171.19 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.756 -0.461 . . . . 1.3500000000000001 109.756 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.498 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 18.8 ttmt -62.35 -25.74 68.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.622 0.231 . . . . 1.3200000000000001 111.622 -173.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.7 -42.82 99.64 Favored Glycine 0 N--CA 1.455 -0.048 0 C-N-CA 120.934 -0.65 . . . . 0.40000000000000002 112.597 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.524 ' OE2' ' HA ' ' B' ' 26' ' ' ASP . 6.1 mm-40 -65.47 -43.71 89.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.413 0.625 . . . . 2.4300000000000002 109.856 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 17.0 tp -60.74 -49.88 75.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.958 -1.019 . . . . 0.52000000000000002 109.919 176.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.517 ' HA ' HD13 ' B' ' 54' ' ' ILE . 1.6 tmtp? -56.41 -49.34 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.056 -0.974 . . . . 1.8700000000000001 110.72 -178.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 56.5 tt0 -52.34 -61.81 2.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.355 0.409 . . . . 2.4500000000000002 110.032 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.408 HD12 ' HD2' ' B' ' 18' ' ' TYR . 10.5 tt -53.39 -53.57 49.24 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.9 -0.591 . . . . 0.45000000000000001 111.221 -178.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.688 HD13 HD11 ' B' ' 48' ' ' ILE . 63.6 mt -62.04 -47.96 82.39 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.81 0.67 . . . . 0.45000000000000001 112.81 -173.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 31.1 p -64.66 -34.9 79.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.854 0.316 . . . . 1.23 111.854 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.6 ptmm? -97.31 -34.19 11.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.908 0.707 . . . . 1.6200000000000001 112.908 -175.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' HG3' ' B' ' 39' ' ' LYS . 6.7 mm-40 -96.2 -36.32 10.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.87 0.367 . . . . 1.6699999999999999 111.108 -170.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.403 HD12 ' C ' ' B' ' 40' ' ' GLU . 8.1 mp -115.18 27.54 9.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.372 0.606 . . . . 1.4199999999999999 109.771 -176.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.85 -34.67 55.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.732 -1.122 . . . . 0.78000000000000003 113.751 -173.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -109.45 9.92 25.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.282 0.563 . . . . 2.1600000000000001 111.02 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -102.62 -63.9 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.466 0.651 . . . . 0.66000000000000003 110.335 -174.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.562 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.4 mt -80.17 136.5 23.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.176 -0.92 . . . . 0.59999999999999998 110.046 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -56.89 124.4 18.45 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.545 -0.298 . . . . 1.6100000000000001 111.168 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' B' ' 49' ' ' LYS . 2.7 t-20 42.48 46.85 4.24 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.842 0.83 . . . . 1.48 110.798 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.688 HD11 HD13 ' B' ' 37' ' ' LEU . 5.5 tp -65.92 3.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.044 -0.98 . . . . 0.56000000000000005 110.181 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' B' ' 47' ' ' ASN . 13.8 mmmm -97.47 -1.78 43.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.871 -0.604 . . . . 1.1100000000000001 109.697 -177.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.432 ' HB2' ' OD1' ' B' ' 47' ' ' ASN . 2.8 t70 -100.69 133.34 45.28 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.209 -0.905 . . . . 1.5900000000000001 110.612 178.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.498 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.4 -20.44 65.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.92000000000000004 110.191 178.013 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.82 -36.68 73.06 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.826 -0.805 . . . . 0.67000000000000004 108.826 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 37.2 t -75.71 -45.31 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.632 -1.167 . . . . 0.59999999999999998 109.299 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' B' ' 34' ' ' LYS . 59.6 mt -59.53 -38.23 74.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.87 -1.059 . . . . 0.41999999999999998 110.95 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.36 -49.44 71.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 115.643 -0.708 . . . . 1.53 110.004 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 19.6 mm-40 -49.24 -46.09 45.56 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.048 -0.978 . . . . 1.77 111.375 177.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.9 mt -72.54 -54.41 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.927 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' B' ' 33' ' ' LEU . 85.4 t80 -50.93 -50.61 57.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 1.6699999999999999 111.181 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -69.91 -20.63 63.36 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.286 -0.87 . . . . 1.9099999999999999 110.565 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.14 -24.7 68.16 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.989 -0.624 . . . . 0.53000000000000003 112.149 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.5 OUTLIER -92.45 -43.25 9.3 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.366 -0.976 . . . . 0.58999999999999997 108.366 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -80.32 73.48 7.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.755 -1.111 . . . . 1.3999999999999999 110.005 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -16.5 63.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.368 -0.833 . . . . 1.3100000000000001 110.654 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -20.23 56.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.439 0.637 . . . . 2.7999999999999998 109.652 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 59.84 41.28 18.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 114.822 -1.081 . . . . 2.7200000000000002 110.699 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.94 1.05 28.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 2.1400000000000001 110.063 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 66.61 37.09 4.55 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.15 -0.932 . . . . 2.0099999999999998 109.75 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -143.5 117.75 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.731 -1.122 . . . . 2.1600000000000001 110.113 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.45 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 18.2 m -111.27 124.95 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.177 0.513 . . . . 1.8100000000000001 110.529 173.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.96 170.27 16.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 2.02 109.243 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -56.82 -29.6 62.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.939 0.4 . . . . 2.1800000000000002 110.346 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.551 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 28.2 tt0 -69.28 -41.52 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 1.6699999999999999 111.504 175.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.07 -33.17 67.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.124 0.487 . . . . 1.99 109.891 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.649 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 1.2 t80 -68.2 -21.47 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.718 0.77 . . . . 1.9199999999999999 109.027 173.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -71.46 -35.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.196 -0.911 . . . . 0.67000000000000004 109.541 174.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.645 ' O ' HD13 ' B' ' 80' ' ' ILE . 27.4 m -64.31 -35.74 81.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.73999999999999999 109.479 172.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.649 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.1 tm? -54.57 -47.08 73.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.303 -0.408 . . . . 1.1399999999999999 110.009 175.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 5.2 t -63.74 -33.43 61.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 116.01 -0.541 . . . . 0.33000000000000002 109.958 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.74 -45.2 94.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.323 0.582 . . . . 0.42999999999999999 110.3 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.645 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.99 -41.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.253 -0.885 . . . . 0.40000000000000002 110.289 175.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -69.83 -34.42 73.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.57 -0.741 . . . . 0.28000000000000003 111.46 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.3 mt -68.94 -40.17 79.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.087 -0.506 . . . . 0.33000000000000002 110.079 176.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.643 ' HG2' HD13 ' A' ' 75' ' ' ILE . 7.6 mmmm -59.32 -49.09 79.15 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.967 -0.753 . . . . 1.6699999999999999 108.967 171.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -62.22 -21.63 65.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.178 -0.465 . . . . 0.47999999999999998 111.958 178.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -80.01 -53.6 6.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.942 0.349 . . . . 0.56999999999999995 111.942 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -84.74 -39.19 18.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.768 0.794 . . . . 2.6800000000000002 110.547 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.534 ' C ' ' H ' ' B' ' 89' ' ' THR . 34.5 t80 -89.65 23.18 2.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.539 -1.21 . . . . 1.8 108.967 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 18.1 t-80 -48.32 20.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.19 1.796 . . . . 3.27 115.164 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.534 ' H ' ' C ' ' B' ' 87' ' ' TYR . 6.1 t -75.49 -31.93 60.38 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.384 -0.969 . . . . 1.27 108.384 172.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.568 ' C ' ' H ' ' B' ' 92' ' ' GLU . 3.1 m80 177.78 -56.32 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.13 -0.941 . . . . 3.4700000000000002 110.111 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.501 ' HE2' HG23 ' B' ' 80' ' ' ILE . 2.1 ttpp 70.29 -29.4 0.18 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.766 -1.106 . . . . 3.4700000000000002 110.029 -167.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.568 ' H ' ' C ' ' B' ' 90' ' ' HIS . 43.8 mt-10 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.428 -0.805 . . . . 7.0800000000000001 110.36 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.096 -0.335 . . . . 6.4199999999999999 110.096 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -68.85 140.64 55.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.069 0.461 . . . . 4.25 110.578 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -91.39 -4.44 55.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.135 -0.484 . . . . 6.0499999999999998 110.44 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.9 mt 67.99 18.94 9.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.617 -0.719 . . . . 4.5 110.724 -177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.1 -14.63 63.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.583 -0.735 . . . . 3.1000000000000001 110.175 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.68 -18.86 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.339 -0.846 . . . . 2.5099999999999998 110.672 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.602 ' O ' HG13 ' A' ' 11' ' ' ILE . 24.0 m-70 -71.34 -49.49 41.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.496 -0.32 . . . . 2.1600000000000001 110.72 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.869 HD13 ' HB1' ' B' ' 81' ' ' ALA . 75.0 mt -63.31 -60.74 3.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.34000000000000002 111.334 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.94 -22.44 66.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.767 -0.651 . . . . 2.4100000000000001 109.926 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.669 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -72.85 -35.94 58.02 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.316 -0.856 . . . . 0.44 112.636 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 7' ' ' HIS . 56.8 mt -74.42 -39.48 48.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.229 -0.656 . . . . 1.1599999999999999 109.229 178.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' B' ' 85' ' ' ALA . 69.0 t -55.32 -39.43 52.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.153 -0.93 . . . . 0.56999999999999995 110.007 169.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.25 -32.71 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.06 -0.973 . . . . 1.4199999999999999 111.007 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.669 HG13 ' O ' ' A' ' 10' ' ' GLY . 73.5 mt -64.74 -42.55 95.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.925 0.393 . . . . 2.0600000000000001 110.594 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.88 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.726 -0.472 . . . . 2.5699999999999998 109.726 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -72.97 -24.71 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 2.23 110.96 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -67.23 -50.1 61.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 2.77 111.56 -174.158 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -85.12 -48.31 9.3 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.755 -0.778 . . . . 6.25 112.279 -176.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p -67.3 -67.68 0.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.704 -0.398 . . . . 3.0099999999999998 111.828 -170.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t 71.75 -50.9 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.259 0.624 . . . . 4.1299999999999999 111.898 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -79.04 62.86 3.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.081 -0.509 . . . . 7.2800000000000002 111.856 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -89.55 84.32 6.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.049 0.452 . . . . 8.6999999999999993 110.304 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.85 -110.89 0.57 Allowed Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.745 -0.662 . . . . 5.6699999999999999 112.684 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -93.85 33.76 1.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.885 0.374 . . . . 8.2699999999999996 110.873 -176.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 56.55 44.89 23.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.413 -0.812 . . . . 7.5 112.238 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -127.71 -10.87 5.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.723 0.773 . . . . 5.6200000000000001 109.923 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.5 p -87.05 -22.28 25.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.366 -0.834 . . . . 3.9399999999999999 112.054 -176.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.1 pt? -81.53 66.16 6.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.28 1.038 . . . . 2.9100000000000001 111.02 -175.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -100.06 -170.51 1.89 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.775 -1.102 . . . . 1.3500000000000001 110.389 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 22.5 ttmt -60.31 -23.76 64.45 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 122.443 -0.161 . . . . 1.3200000000000001 111.429 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.43 -57.58 16.66 Favored Glycine 0 C--O 1.235 0.178 0 C-N-CA 121.412 -0.423 . . . . 0.40000000000000002 114.103 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.62 -38.15 77.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.589 0.218 . . . . 2.4399999999999999 111.589 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 23.1 tp -57.56 -51.48 69.29 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.193 -0.669 . . . . 0.52000000000000002 109.193 175.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 54' ' ' ILE . 26.5 ttpp -49.59 -51.35 37.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.59 -1.187 . . . . 1.8700000000000001 111.255 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.752 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 6.3 mm100 -61.42 -59.99 4.41 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 116.194 -0.457 . . . . 2.46 110.838 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -47.77 -42.9 26.85 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.414 0.626 . . . . 0.45000000000000001 110.724 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 82.3 mt -68.44 -49.62 58.62 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.086 -0.507 . . . . 0.45000000000000001 112.33 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -71.88 -27.51 62.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.66 0.244 . . . . 1.23 111.66 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.752 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.04 -36.36 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.795 0.665 . . . . 1.6100000000000001 112.795 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 9.2 mm-40 -98.1 -42.22 7.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 1.6699999999999999 110.812 -171.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.631 ' HG ' HD11 ' B' ' 8' ' ' LEU . 6.6 mp -103.41 24.77 10.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.434 0.635 . . . . 1.4199999999999999 109.781 -178.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -51.28 -32.07 23.42 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.445 -1.252 . . . . 0.78000000000000003 114.359 -172.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -108.29 -1.96 19.64 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.762 -0.375 . . . . 2.1600000000000001 111.611 -171.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -96.62 -58.48 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.472 0.653 . . . . 0.66000000000000003 110.457 -171.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.596 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.2 mt -82.03 139.78 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.969 -1.014 . . . . 0.59999999999999998 109.907 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' O ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -59.83 123.76 18.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 123.167 0.292 . . . . 1.6100000000000001 110.295 -175.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 49' ' ' LYS . 4.4 m-20 42.6 43.86 3.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.977 0.798 . . . . 1.48 111.828 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.596 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.8 tp -61.84 -5.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.98 0.895 . . . . 0.55000000000000004 111.149 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 47' ' ' ASN . 10.7 mmmm -79.01 -20.65 48.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.159 -0.928 . . . . 1.1100000000000001 109.862 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -84.24 128.12 34.37 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.406 -0.815 . . . . 1.5800000000000001 111.249 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HE2' ' HD2' ' A' ' 30' ' ' LYS . 2.9 tmtp? -62.21 -28.99 70.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.741 -1.118 . . . . 0.92000000000000004 109.955 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.57 77.5 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.276 0.56 . . . . 0.67000000000000004 109.527 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 57' ' ' ILE . 14.1 t -67.79 -44.8 85.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.922 -1.035 . . . . 0.59999999999999998 108.935 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 34' ' ' LYS . 69.1 mt -61.99 -38.44 80.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.653 -1.158 . . . . 0.41999999999999998 111.001 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.606 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 31.3 t70 -63.07 -51.03 68.26 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.47 -0.786 . . . . 1.53 109.2 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.28 -45.09 44.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.713 -1.13 . . . . 1.77 111.439 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.662 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 68.9 mt -72.4 -52.48 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.807 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 69' ' ' VAL . 83.1 t80 -50.48 -47.06 57.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.71 -0.677 . . . . 1.6799999999999999 110.849 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.4 mm-40 -62.78 -34.36 77.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.457 -0.792 . . . . 1.9199999999999999 110.385 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.21 -26.1 74.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.969 -0.634 . . . . 0.53000000000000003 112.602 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -89.21 -44.6 10.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.102 -0.703 . . . . 0.57999999999999996 109.102 179.392 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -70.87 73.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.305 -0.861 . . . . 1.3999999999999999 110.833 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 -16.41 62.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.174 -0.921 . . . . 1.3 109.954 176.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -20.53 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.418 -0.81 . . . . 2.7999999999999998 109.778 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 56.21 35.1 25.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.783 -1.099 . . . . 2.7200000000000002 110.758 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -114.95 0.39 13.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 2.1299999999999999 110.488 -175.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 69.14 37.57 2.12 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.206 -0.906 . . . . 2.02 110.351 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -137.54 117.45 13.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 2.1600000000000001 109.36 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG13 ' CE1' ' A' ' 58' ' ' PHE . 3.8 m -97.16 107.75 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.374 0.606 . . . . 1.8100000000000001 111.019 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.97 176.18 4.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 2.02 109.556 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -59.67 -28.35 67.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.508 -0.553 . . . . 2.1699999999999999 109.508 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 7.6 tt0 -65.56 -44.37 86.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.274 0.559 . . . . 1.6599999999999999 110.584 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -67.02 -28.25 68.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.743 0.782 . . . . 1.99 109.862 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . 76.7 t80 -73.33 -25.34 60.59 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.495 -0.775 . . . . 1.9199999999999999 110.066 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.62 HG23 ' HB1' ' B' ' 79' ' ' ALA . 1.1 mp -62.42 -44.62 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.379 -0.6 . . . . 0.67000000000000004 109.379 174.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.582 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.3 p -74.32 -28.31 61.1 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.821 -0.627 . . . . 0.73999999999999999 110.7 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.4 tm? -58.54 -47.6 83.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.976 0.417 . . . . 1.1499999999999999 109.984 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.494 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.9 t -68.66 -28.31 39.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.13 -0.486 . . . . 0.33000000000000002 110.271 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' B' ' 75' ' ' ILE . . . -58.28 -50.24 74.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.529 0.681 . . . . 0.42999999999999999 109.55 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.586 HG23 ' HE2' ' A' ' 91' ' ' LYS . 1.7 mp -56.46 -41.78 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.025 -0.989 . . . . 0.40000000000000002 110.461 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.844 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -71.82 -39.8 69.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.396 -0.82 . . . . 0.28000000000000003 112.506 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.513 ' HB2' HG13 ' B' ' 75' ' ' ILE . 94.8 mt -64.32 -41.76 96.65 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.53 0.681 . . . . 0.33000000000000002 109.882 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 8.7 tptm -65.71 -33.77 76.65 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 114.929 -1.032 . . . . 1.6699999999999999 109.148 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -70.13 -22.92 62.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.504 -0.317 . . . . 0.47999999999999998 111.05 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.29 -60.22 2.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.852 0.315 . . . . 0.56999999999999995 111.852 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.482 ' HB2' HG13 ' B' ' 12' ' ' VAL . 1.5 t60 -77.68 -46.47 21.81 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.427 0.632 . . . . 2.6800000000000002 110.842 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.596 ' HB3' ' O ' ' A' ' 83' ' ' LYS . 22.9 t80 -86.63 24.81 1.36 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.859 -1.064 . . . . 1.8 109.609 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' A' ' 90' ' ' HIS . 31.6 t60 -48.84 17.99 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.085 1.754 . . . . 3.2599999999999998 114.602 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 87' ' ' TYR . 15.0 t -81.82 15.82 2.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.891 -0.781 . . . . 1.26 108.891 172.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 88' ' ' HIS . 30.2 m80 81.0 82.31 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.162 -1.381 . . . . 3.4700000000000002 109.189 -175.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HE2' HG23 ' A' ' 80' ' ' ILE . 2.6 ttpp -50.41 -40.07 48.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.011 -0.995 . . . . 3.4700000000000002 110.063 173.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.064 -0.97 . . . . 7.0899999999999999 111.136 177.077 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.153 -0.314 . . . . 6.4199999999999999 110.153 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -69.07 140.16 54.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.032 0.444 . . . . 4.2599999999999998 110.6 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -90.96 -4.42 56.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 6.04 110.491 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 86.0 mt 67.94 19.37 9.44 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.489 -0.778 . . . . 4.5 110.692 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.46 -14.94 63.35 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.548 -0.751 . . . . 3.1000000000000001 110.192 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.39 -18.9 62.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.092 -0.958 . . . . 2.5099999999999998 110.662 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.601 ' O ' HG13 ' B' ' 11' ' ' ILE . 23.6 m-70 -71.49 -49.51 40.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.462 -0.335 . . . . 2.1600000000000001 110.562 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.844 HD13 ' HB1' ' A' ' 81' ' ' ALA . 76.4 mt -63.25 -60.68 3.08 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.34000000000000002 111.245 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -22.38 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.777 -0.647 . . . . 2.4100000000000001 109.994 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.669 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -72.49 -36.34 59.07 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.423 -0.808 . . . . 0.44 112.623 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 7' ' ' HIS . 56.6 mt -74.26 -39.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.308 -0.627 . . . . 1.1599999999999999 109.308 178.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 85' ' ' ALA . 64.9 t -55.53 -39.68 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.183 -0.917 . . . . 0.56999999999999995 109.968 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.02 -32.44 72.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.013 -0.994 . . . . 1.4199999999999999 111.109 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.669 HG13 ' O ' ' B' ' 10' ' ' GLY . 73.9 mt -64.9 -42.63 95.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 120.922 0.391 . . . . 2.0600000000000001 110.622 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.61 -35.29 80.53 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.74 -0.467 . . . . 2.5800000000000001 109.74 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -72.6 -24.95 61.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 2.23 110.946 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 0.0 OUTLIER -67.2 -50.06 62.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 2.77 111.523 -174.052 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -85.21 -48.29 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.748 -0.781 . . . . 6.25 112.313 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -67.28 -67.28 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.755 -0.378 . . . . 3.02 111.902 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 57.7 t 71.31 -50.94 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.248 0.619 . . . . 4.1200000000000001 111.998 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -78.88 62.64 3.4 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.98 0.512 . . . . 7.2800000000000002 111.871 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -89.27 84.17 6.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.015 0.436 . . . . 8.7100000000000009 110.367 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.76 -111.18 0.57 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.926 -0.654 . . . . 5.6799999999999997 112.703 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -93.37 33.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.913 0.387 . . . . 8.2699999999999996 110.756 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 56.34 45.03 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.537 -0.756 . . . . 7.5 112.213 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -127.69 -10.98 5.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.574 0.702 . . . . 5.6200000000000001 109.888 173.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.4 p -86.71 -22.27 26.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.462 -0.79 . . . . 3.9500000000000002 112.199 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.542 ' CD2' ' H ' ' B' ' 28' ' ' LEU . 1.1 pt? -81.67 66.13 7.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.292 1.044 . . . . 2.9100000000000001 110.943 -175.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -100.1 -170.48 1.88 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.754 -1.112 . . . . 1.3500000000000001 110.451 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.575 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 22.4 ttmt -60.21 -23.62 64.17 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 111.509 0.189 . . . . 1.3200000000000001 111.509 -176.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.56 17.08 Favored Glycine 0 C--O 1.235 0.174 0 N-CA-C 114.1 0.4 . . . . 0.40000000000000002 114.1 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' B' ' 32' ' ' GLU . 6.6 pt-20 -69.83 -38.08 76.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.51 0.189 . . . . 2.4300000000000002 111.51 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.661 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tp -57.52 -51.59 68.86 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.238 -0.653 . . . . 0.52000000000000002 109.238 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' B' ' 54' ' ' ILE . 26.4 ttpp -49.45 -51.28 36.74 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.568 -1.196 . . . . 1.8700000000000001 111.219 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.746 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 6.4 mm100 -61.58 -60.14 4.15 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.227 -0.442 . . . . 2.4500000000000002 110.814 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -47.47 -42.9 23.66 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.566 0.698 . . . . 0.45000000000000001 110.735 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 82.4 mt -68.64 -49.46 58.94 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 116.087 -0.506 . . . . 0.45000000000000001 112.252 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.2 t -71.96 -27.39 62.75 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.687 0.255 . . . . 1.23 111.687 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.746 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -97.11 -36.43 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.71 0.634 . . . . 1.6200000000000001 112.71 -179.294 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 7.6 mm-40 -98.12 -42.2 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 1.6699999999999999 110.772 -171.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.61 ' HG ' HD11 ' A' ' 8' ' ' LEU . 6.6 mp -103.49 24.78 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 1.4199999999999999 109.712 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -51.32 -32.27 24.64 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 114.388 1.255 . . . . 0.78000000000000003 114.388 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -107.69 -2.77 19.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.917 0.389 . . . . 2.1600000000000001 111.702 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -96.11 -58.63 2.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.553 0.692 . . . . 0.66000000000000003 110.389 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.2 mt -81.95 139.57 17.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.949 -1.023 . . . . 0.59999999999999998 109.927 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.41 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -59.56 123.51 17.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.199 0.312 . . . . 1.6100000000000001 110.387 -175.487 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 42.69 43.84 3.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.999 0.812 . . . . 1.48 111.832 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.9 tp -61.81 -5.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.895 0.855 . . . . 0.56000000000000005 111.05 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -79.05 -20.9 47.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.217 -0.902 . . . . 1.1100000000000001 109.782 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.07 128.43 34.55 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.382 -0.826 . . . . 1.5900000000000001 111.112 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.575 ' HE2' ' HD2' ' B' ' 30' ' ' LYS . 2.9 tmtp? -62.75 -28.88 70.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.828 -1.078 . . . . 0.92000000000000004 109.968 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.65 77.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.407 -0.59 . . . . 0.67000000000000004 109.407 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.427 ' O ' HG13 ' B' ' 57' ' ' ILE . 13.9 t -67.68 -44.7 85.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.993 -1.003 . . . . 0.59999999999999998 108.946 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' B' ' 34' ' ' LYS . 69.2 mt -62.21 -38.14 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.691 -1.14 . . . . 0.41999999999999998 110.961 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.616 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 28.2 t70 -63.37 -50.96 67.86 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.436 -0.802 . . . . 1.53 109.219 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -49.25 -45.09 44.28 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.741 -1.118 . . . . 1.77 111.384 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.654 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 68.4 mt -72.28 -52.45 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.886 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.457 ' CE1' HG13 ' B' ' 69' ' ' VAL . 82.7 t80 -50.68 -47.06 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 1.6699999999999999 110.766 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.8 mm-40 -62.92 -34.11 76.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.804 . . . . 1.9099999999999999 110.381 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.04 -26.55 73.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.939 -0.648 . . . . 0.53000000000000003 112.551 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.7 OUTLIER -88.85 -44.83 10.2 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.137 -0.69 . . . . 0.58999999999999997 109.137 179.518 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -70.57 74.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.24 -0.891 . . . . 1.3999999999999999 110.899 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.4 -16.36 62.95 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.111 -0.95 . . . . 1.3100000000000001 109.971 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -20.48 60.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.566 -0.743 . . . . 2.7999999999999998 109.901 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 56.35 35.16 25.41 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 114.815 -1.084 . . . . 2.7200000000000002 110.602 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -114.86 0.24 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.897 -0.592 . . . . 2.1400000000000001 110.313 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 68.92 37.64 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.315 -0.857 . . . . 2.0099999999999998 110.35 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -137.35 117.62 13.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.42 -0.809 . . . . 2.1600000000000001 109.336 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.457 HG13 ' CE1' ' B' ' 58' ' ' PHE . 3.9 m -97.34 107.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.345 0.593 . . . . 1.8100000000000001 111.156 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.84 176.27 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.689 -0.687 . . . . 2.02 109.579 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -59.85 -28.22 67.32 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.444 -0.576 . . . . 2.1800000000000002 109.444 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.54 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 7.5 tt0 -65.61 -44.29 87.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.248 0.547 . . . . 1.6699999999999999 110.668 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -67.19 -28.12 67.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.601 0.715 . . . . 1.99 109.683 175.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.443 ' O ' HG23 ' B' ' 78' ' ' VAL . 77.1 t80 -73.32 -25.4 60.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.639 -0.71 . . . . 1.9199999999999999 110.023 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.614 HG23 ' HB1' ' A' ' 79' ' ' ALA . 1.1 mp -62.46 -44.56 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 109.384 -0.599 . . . . 0.67000000000000004 109.384 174.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.587 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.3 p -74.32 -28.28 61.09 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.802 -0.636 . . . . 0.73999999999999999 110.709 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.632 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.4 tm? -58.59 -47.62 83.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 1.1399999999999999 109.967 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.5 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 44.7 t -68.73 -28.13 38.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 0.33000000000000002 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.62 ' HB1' HG23 ' A' ' 75' ' ' ILE . . . -58.41 -50.21 74.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.466 0.651 . . . . 0.42999999999999999 109.513 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.602 HG23 ' HE2' ' B' ' 91' ' ' LYS . 1.7 mp -56.19 -42.05 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.068 -0.969 . . . . 0.40000000000000002 110.428 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.869 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -71.85 -39.6 69.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.405 -0.816 . . . . 0.28000000000000003 112.532 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.502 ' HB2' HG13 ' A' ' 75' ' ' ILE . 94.8 mt -64.37 -41.96 96.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.515 0.674 . . . . 0.33000000000000002 109.776 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.614 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 8.7 tptm -65.55 -33.62 76.33 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.941 -1.027 . . . . 1.6699999999999999 109.27 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -70.37 -22.81 62.73 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.47 -0.332 . . . . 0.47999999999999998 111.129 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.549 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.33 -60.52 2.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.508 -0.315 . . . . 0.56999999999999995 111.73 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.49 ' HB2' HG13 ' A' ' 12' ' ' VAL . 1.5 t60 -77.41 -46.26 23.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.552 0.691 . . . . 2.6800000000000002 110.952 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.614 ' HB3' ' O ' ' B' ' 83' ' ' LYS . 23.5 t80 -86.93 24.72 1.44 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.913 -1.04 . . . . 1.8 109.503 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 30.9 t60 -48.73 18.25 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.018 1.727 . . . . 3.27 114.648 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.591 ' H ' ' C ' ' B' ' 87' ' ' TYR . 15.1 t -82.09 15.59 2.28 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.036 -0.727 . . . . 1.27 109.036 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.467 ' H ' ' C ' ' B' ' 88' ' ' HIS . 31.0 m80 81.59 81.67 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 114.014 -1.448 . . . . 3.4700000000000002 109.274 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.602 ' HE2' HG23 ' B' ' 80' ' ' ILE . 2.6 ttpp -49.83 -40.03 40.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.151 -0.931 . . . . 3.4700000000000002 110.155 173.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.176 -0.916 . . . . 7.0800000000000001 111.269 177.296 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.04 -0.356 . . . . 6.4199999999999999 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.0 t -173.32 21.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.443 0.64 . . . . 4.25 110.114 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.09 -3.41 35.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 6.0499999999999998 111.795 -175.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.429 HD23 ' OE1' ' B' ' 40' ' ' GLU . 4.0 mm? -71.02 -17.37 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.067 -0.253 . . . . 4.5 110.462 178.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.96 -42.34 79.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.041 -0.527 . . . . 3.1000000000000001 109.655 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.83 -25.65 65.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.638 -0.71 . . . . 2.5099999999999998 110.896 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.428 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.6 m-70 -78.83 -50.65 10.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.257 -0.429 . . . . 2.1600000000000001 110.064 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.723 HD13 ' HB1' ' B' ' 81' ' ' ALA . 84.8 mt -62.46 -60.3 3.74 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.613 0.57 . . . . 0.34000000000000002 110.767 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.01 -32.61 72.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.231 -0.895 . . . . 2.4100000000000001 110.608 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.25 92.86 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.945 -0.571 . . . . 0.44 112.631 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 14' ' ' ILE . 29.2 mm -66.96 -41.68 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.64 0.733 . . . . 1.1599999999999999 109.662 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -64.07 -45.84 95.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.087 -0.96 . . . . 0.56999999999999995 111.363 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.68 -40.08 94.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 1.4199999999999999 111.227 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 11' ' ' ILE . 10.0 tp -70.56 -28.03 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.847 -0.341 . . . . 2.0600000000000001 110.733 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.414 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 38.5 t80 -70.4 -36.14 73.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.579 -0.526 . . . . 2.5699999999999998 109.579 175.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -70.43 -19.98 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.576 -0.738 . . . . 2.23 110.165 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -74.76 -59.94 2.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 2.77 110.669 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -78.54 -36.25 44.97 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.991 0.367 . . . . 6.25 111.991 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.413 ' HB3' HD13 ' A' ' 28' ' ' LEU . 50.4 m -99.32 172.85 7.08 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.645 -0.502 . . . . 3.0099999999999998 109.645 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 t 55.04 44.37 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.86 -0.793 . . . . 4.1299999999999999 108.86 -174.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -134.93 84.61 2.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.534 -0.757 . . . . 7.2800000000000002 110.628 -170.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 tttm 72.26 154.41 0.14 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.826 0.704 . . . . 8.6999999999999993 111.249 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.03 125.05 4.93 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.829 -0.7 . . . . 5.6699999999999999 112.315 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -68.38 87.75 0.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.98 -0.378 . . . . 8.2699999999999996 109.98 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 56.65 38.33 29.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.851 -0.613 . . . . 7.5 110.333 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -104.65 -18.22 14.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.569 -0.741 . . . . 5.6200000000000001 110.057 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -91.42 -174.94 4.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.671 -0.695 . . . . 3.9399999999999999 110.597 176.612 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 27' ' ' THR . 3.9 mm? 73.67 11.74 4.63 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.222 0.609 . . . . 2.9100000000000001 110.285 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -103.37 -171.71 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.578 -0.283 . . . . 1.3500000000000001 111.27 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 20.7 ttmt -64.86 -25.43 67.89 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.939 -0.304 . . . . 1.3200000000000001 110.826 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.73 -53.83 34.0 Favored Glycine 0 CA--C 1.505 -0.546 0 CA-C-O 121.564 0.536 . . . . 0.40000000000000002 112.407 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -76.04 -38.65 56.95 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.288 -0.956 . . . . 2.4399999999999999 110.831 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 25.0 tp -60.98 -47.99 83.88 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.354 -0.839 . . . . 0.52000000000000002 109.033 175.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HG3' HD13 ' A' ' 54' ' ' ILE . 4.4 ttpm? -54.25 -50.53 67.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.68 . . . . 1.8700000000000001 110.53 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 8.7 tt0 -53.45 -59.42 4.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.917 -0.583 . . . . 2.46 110.492 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.55 -51.93 63.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 120.942 0.401 . . . . 0.45000000000000001 110.848 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 84.5 mt -63.62 -47.82 79.8 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.61 0.596 . . . . 0.45000000000000001 112.61 -173.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 32.5 p -64.5 -33.23 75.42 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.677 0.251 . . . . 1.23 111.677 -174.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -96.17 -37.13 10.7 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.404 0.52 . . . . 1.6100000000000001 112.404 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 59.6 mm-40 -90.34 -47.01 8.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.126 -0.23 . . . . 1.6699999999999999 111.459 -170.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' B' ' 8' ' ' LEU . 1.6 mm? -108.27 30.31 6.53 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.396 0.617 . . . . 1.4199999999999999 110.573 -177.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -58.05 -24.06 56.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.069 -0.969 . . . . 0.78000000000000003 111.814 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -98.87 -5.17 31.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.871 -0.604 . . . . 2.1600000000000001 111.322 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.25 -62.39 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.45 0.643 . . . . 0.66000000000000003 110.987 -170.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.615 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 60.9 mt -80.68 131.32 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.313 -0.858 . . . . 0.59999999999999998 110.399 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.67 30.88 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.219 0.325 . . . . 1.6100000000000001 110.702 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.429 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.0 m-20 44.54 41.43 4.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.713 -0.676 . . . . 1.48 112.023 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.615 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.3 tp -65.41 -4.37 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 122.048 0.928 . . . . 0.55000000000000004 110.377 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -82.02 -18.33 43.68 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.773 -1.103 . . . . 1.1100000000000001 109.792 179.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.06 127.55 33.67 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.292 -0.867 . . . . 1.5800000000000001 110.759 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.31 -23.85 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.625 -0.716 . . . . 0.92000000000000004 109.882 178.483 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.03 74.97 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.969 -0.752 . . . . 0.67000000000000004 108.969 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 57' ' ' ILE . 42.4 t -71.96 -45.83 62.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.742 -1.117 . . . . 0.59999999999999998 109.428 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.522 HD13 ' HG3' ' A' ' 34' ' ' LYS . 95.9 mt -60.08 -42.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.091 -0.959 . . . . 0.41999999999999998 111.305 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.9 t70 -63.79 -48.36 77.2 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.949 -0.569 . . . . 1.53 109.999 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -47.87 -45.84 30.79 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.728 -0.669 . . . . 1.77 111.113 175.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.574 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 mm -73.31 -52.82 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.894 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -50.73 -48.55 58.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.551 -0.749 . . . . 1.6799999999999999 110.79 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mm-40 -64.42 -30.53 71.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.224 -0.898 . . . . 1.9199999999999999 110.657 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.99 75.99 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.908 -0.663 . . . . 0.53000000000000003 112.369 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -93.6 -43.15 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.148 -0.686 . . . . 0.57999999999999996 109.148 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -79.75 73.84 6.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.011 -0.995 . . . . 1.3999999999999999 110.206 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.46 -16.02 60.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.342 -0.845 . . . . 1.3 110.199 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.33 -20.23 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.437 -0.801 . . . . 2.7999999999999998 110.414 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 62.97 37.28 11.98 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.919 -1.037 . . . . 2.7200000000000002 111.141 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -107.67 -2.65 19.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.495 . . . . 2.1299999999999999 110.761 -175.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 68.15 41.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.358 -0.837 . . . . 2.02 111.718 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 11.1 pt20 -151.75 117.87 5.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.074 -0.512 . . . . 2.1600000000000001 110.228 173.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -101.51 125.22 55.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.443 0.639 . . . . 1.8100000000000001 111.22 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -82.9 -175.59 5.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.763 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -64.46 -30.0 71.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.754 0.312 . . . . 2.1699999999999999 110.177 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.589 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 33.1 tt0 -67.18 -40.39 86.58 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.529 0.68 . . . . 1.6599999999999999 110.62 175.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 25.7 mt-10 -76.55 -30.21 57.0 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.391 0.615 . . . . 1.99 109.975 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 78' ' ' VAL . 58.4 t80 -72.05 -20.99 61.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.944 -0.571 . . . . 1.9199999999999999 109.574 172.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.589 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.6 OUTLIER -66.65 -44.29 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.652 -0.704 . . . . 0.67000000000000004 109.216 177.279 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.529 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.1 p -65.71 -32.03 73.36 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.736 -0.666 . . . . 0.73999999999999999 110.464 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 2.2 tm? -57.4 -45.39 84.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.954 0.407 . . . . 1.1499999999999999 109.986 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 74' ' ' PHE . 13.4 t -67.17 -29.03 44.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 116.011 -0.54 . . . . 0.33000000000000002 110.062 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -62.67 -44.37 96.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.37 0.605 . . . . 0.42999999999999999 109.711 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.529 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -58.71 -47.91 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.356 -0.838 . . . . 0.40000000000000002 109.851 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -70.13 -33.84 72.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.025 -0.989 . . . . 0.28000000000000003 112.4 -173.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 80.0 mt -66.65 -41.43 88.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.818 0.342 . . . . 0.33000000000000002 110.797 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.677 ' HB3' ' HG3' ' A' ' 91' ' ' LYS . 10.7 tttt -76.94 -30.82 56.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.374 -0.93 . . . . 1.6699999999999999 110.492 176.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -54.63 -25.88 29.41 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.81 -0.356 . . . . 0.47999999999999998 111.104 166.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.01 -53.54 5.74 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.05 0.389 . . . . 0.56999999999999995 112.05 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' A' ' 88' ' ' HIS . 28.2 t-80 -82.5 -58.92 2.71 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.359 0.599 . . . . 2.6800000000000002 110.702 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.52 ' C ' ' H ' ' A' ' 89' ' ' THR . 34.9 t80 -74.97 22.96 0.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.049 -0.978 . . . . 1.8 110.503 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' A' ' 86' ' ' HIS . 3.5 p-80 -49.46 13.58 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.14 1.533 . . . . 3.2599999999999998 115.14 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.52 ' H ' ' C ' ' A' ' 87' ' ' TYR . 6.0 t -74.81 -38.53 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.219 -1.03 . . . . 1.26 108.219 174.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 168.09 78.62 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 114.618 -1.174 . . . . 3.4700000000000002 109.03 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.744 ' C ' ' HE2' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -52.16 -52.56 51.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.135 -1.061 . . . . 3.4700000000000002 108.135 173.58 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.548 -0.751 . . . . 7.0899999999999999 109.77 179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.272 -0.27 . . . . 6.4199999999999999 110.272 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -172.98 21.1 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.244 0.545 . . . . 4.2599999999999998 110.072 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.95 -2.88 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 6.04 111.908 -175.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.459 HD23 ' OE1' ' A' ' 40' ' ' GLU . 4.0 mm? -71.63 -17.09 62.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.693 0.282 . . . . 4.5 110.437 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.24 -42.52 81.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.911 -0.586 . . . . 3.1000000000000001 109.636 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.36 -25.92 64.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.655 -0.702 . . . . 2.5099999999999998 111.01 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.428 ' O ' HG12 ' B' ' 11' ' ' ILE . 19.8 m-70 -78.74 -50.61 11.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.245 -0.434 . . . . 2.1600000000000001 110.047 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.708 HD13 ' HB1' ' A' ' 81' ' ' ALA . 84.8 mt -62.58 -60.24 3.8 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.517 0.511 . . . . 0.34000000000000002 110.693 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.92 -32.58 72.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.322 -0.853 . . . . 2.4100000000000001 110.647 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.21 92.59 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.971 -0.559 . . . . 0.44 112.521 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.493 ' O ' HG22 ' B' ' 14' ' ' ILE . 29.0 mm -67.04 -41.82 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 1.1599999999999999 109.596 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.83 -45.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.144 -0.935 . . . . 0.56999999999999995 111.311 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -64.63 -40.18 95.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 1.4199999999999999 111.345 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.493 HG22 ' O ' ' B' ' 11' ' ' ILE . 9.9 tp -70.47 -28.02 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.904 -0.318 . . . . 2.0600000000000001 110.758 -177.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 38.8 t80 -70.55 -35.97 73.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.572 -0.529 . . . . 2.5800000000000001 109.572 175.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -70.5 -19.86 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 2.23 110.209 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -74.98 -59.71 2.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 2.77 110.736 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -78.64 -36.39 44.06 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.972 0.36 . . . . 6.25 111.972 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.413 ' HB3' HD13 ' B' ' 28' ' ' LEU . 49.0 m -99.23 172.89 7.07 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.652 -0.499 . . . . 3.02 109.652 176.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 t 54.92 44.15 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.919 0.866 . . . . 4.1200000000000001 108.988 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -134.82 84.77 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.308 -0.86 . . . . 7.2800000000000002 110.653 -170.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm 71.92 154.39 0.14 Allowed 'General case' 0 CA--C 1.533 0.318 0 O-C-N 123.877 0.736 . . . . 8.7100000000000009 111.249 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.24 124.88 4.93 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.826 -0.702 . . . . 5.6799999999999997 112.329 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -68.01 87.75 0.26 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.991 -0.374 . . . . 8.2699999999999996 109.991 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 56.67 38.5 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.455 0.645 . . . . 7.5 110.273 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -104.89 -18.29 14.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 5.6200000000000001 110.128 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 28' ' ' LEU . 0.8 OUTLIER -91.2 -174.78 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.697 -0.683 . . . . 3.9500000000000002 110.505 176.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' B' ' 27' ' ' THR . 3.9 mm? 73.58 11.65 4.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.113 0.565 . . . . 2.9100000000000001 110.22 -176.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -103.42 -171.78 2.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.583 -0.281 . . . . 1.3500000000000001 111.261 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 20.7 ttmt -64.96 -25.36 67.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.912 -0.315 . . . . 1.3200000000000001 110.756 -177.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.62 -53.81 33.8 Favored Glycine 0 CA--C 1.504 -0.606 0 C-N-CA 121.118 -0.563 . . . . 0.40000000000000002 112.5 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -76.16 -38.38 56.74 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.209 -0.996 . . . . 2.4300000000000002 110.851 -172.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.9 tp -61.17 -47.89 84.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.301 -0.863 . . . . 0.52000000000000002 109.222 175.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.514 ' HG3' HD13 ' B' ' 54' ' ' ILE . 4.4 ttpm? -54.1 -50.81 66.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 1.8700000000000001 110.569 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 8.7 tt0 -53.21 -59.54 4.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 2.4500000000000002 110.451 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.59 -52.06 63.35 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.384 0.428 . . . . 0.45000000000000001 110.822 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 84.4 mt -63.38 -48.05 79.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.683 0.623 . . . . 0.45000000000000001 112.683 -173.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 31.4 p -64.38 -33.06 74.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.676 0.274 . . . . 1.23 111.716 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.4 ptmm? -96.36 -37.11 10.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.415 0.524 . . . . 1.6200000000000001 112.415 -176.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.461 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 59.9 mm-40 -90.38 -46.95 8.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.543 0.211 . . . . 1.6699999999999999 111.5 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.454 ' HG ' HD11 ' A' ' 8' ' ' LEU . 1.6 mm? -108.54 30.43 6.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.287 0.565 . . . . 1.4199999999999999 110.501 -177.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -58.12 -24.08 57.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.103 -0.953 . . . . 0.78000000000000003 111.896 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.75 -5.22 31.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.846 -0.615 . . . . 2.1600000000000001 111.304 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.17 -62.14 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.478 0.656 . . . . 0.66000000000000003 111.069 -170.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.612 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 60.7 mt -81.06 131.09 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.325 -0.852 . . . . 0.59999999999999998 110.453 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.423 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 1.9 pptp? -55.55 127.81 31.55 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.05 0.219 . . . . 1.6100000000000001 110.831 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.423 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.0 m-20 44.69 41.48 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.846 0.716 . . . . 1.48 112.002 177.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.612 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.3 tp -65.61 -4.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.086 0.946 . . . . 0.56000000000000005 110.276 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -81.87 -18.3 44.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.743 -1.117 . . . . 1.1100000000000001 109.804 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.14 127.2 33.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.31 -0.859 . . . . 1.5900000000000001 110.663 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.466 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -67.01 -23.92 65.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.585 -0.734 . . . . 0.92000000000000004 109.934 178.094 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.05 75.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.005 -0.739 . . . . 0.67000000000000004 109.005 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.468 ' O ' HG12 ' B' ' 57' ' ' ILE . 42.5 t -72.15 -45.86 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.73 -1.123 . . . . 0.59999999999999998 109.464 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.514 HD13 ' HG3' ' B' ' 34' ' ' LYS . 95.9 mt -59.9 -41.98 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.067 -0.969 . . . . 0.41999999999999998 111.22 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 22.3 t70 -63.92 -48.14 77.75 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.981 -0.554 . . . . 1.53 109.918 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -48.36 -45.35 35.43 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.671 -0.695 . . . . 1.77 111.096 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.573 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 23.4 mm -73.64 -53.0 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.922 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.71 -48.73 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 1.6699999999999999 110.842 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.0 mm-40 -64.2 -30.51 71.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.241 -0.89 . . . . 1.9099999999999999 110.525 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -25.07 75.9 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.822 -0.704 . . . . 0.53000000000000003 112.478 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.4 OUTLIER -93.5 -42.96 8.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.14 -0.689 . . . . 0.58999999999999997 109.14 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -79.92 73.85 6.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.063 -0.971 . . . . 1.3999999999999999 110.312 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.33 -16.05 60.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.422 -0.808 . . . . 1.3100000000000001 110.145 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.22 -20.17 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.455 -0.793 . . . . 2.7999999999999998 110.226 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 63.02 37.03 12.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.076 -0.966 . . . . 2.7200000000000002 111.085 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -107.54 -2.55 20.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.174 0.512 . . . . 2.1400000000000001 110.847 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 68.26 41.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.355 -0.839 . . . . 2.0099999999999998 111.784 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 11.1 pt20 -151.51 117.89 5.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 2.1600000000000001 110.233 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 m -101.54 125.11 55.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.455 0.645 . . . . 1.8100000000000001 111.201 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.81 -175.35 5.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 2.02 109.792 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.57 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.153 -0.314 . . . . 2.1800000000000002 110.153 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.588 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 33.3 tt0 -67.16 -40.8 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.584 0.707 . . . . 1.6699999999999999 110.583 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 26.0 mt-10 -76.15 -30.24 58.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.801 -0.636 . . . . 1.99 109.931 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 78' ' ' VAL . 57.7 t80 -71.96 -21.13 61.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.953 -0.567 . . . . 1.9199999999999999 109.552 172.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.588 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.6 OUTLIER -66.59 -44.12 90.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 0.67000000000000004 109.202 177.33 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.542 ' O ' HD13 ' B' ' 80' ' ' ILE . 0.9 OUTLIER -65.85 -31.94 73.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.743 -0.662 . . . . 0.73999999999999999 110.49 173.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 2.2 tm? -57.5 -45.26 85.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.92 -0.4 . . . . 1.1399999999999999 109.92 176.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 74' ' ' PHE . 13.3 t -67.32 -29.08 44.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.153 -0.476 . . . . 0.33000000000000002 109.978 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.56 -44.5 96.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.357 0.598 . . . . 0.42999999999999999 109.689 174.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.542 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -58.67 -47.81 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.234 -0.894 . . . . 0.40000000000000002 109.942 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.723 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -70.3 -33.69 71.85 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.003 -0.999 . . . . 0.28000000000000003 112.465 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 80.1 mt -66.74 -41.45 87.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.752 0.311 . . . . 0.33000000000000002 110.711 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.674 ' HB3' ' HG3' ' B' ' 91' ' ' LYS . 10.6 tttt -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.355 -0.938 . . . . 1.6699999999999999 110.401 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.593 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -54.51 -26.0 28.96 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.79 -0.364 . . . . 0.47999999999999998 111.026 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.04 -53.04 6.11 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.173 0.435 . . . . 0.56999999999999995 112.173 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' B' ' 88' ' ' HIS . 28.6 t-80 -82.84 -58.81 2.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.208 0.528 . . . . 2.6800000000000002 110.833 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.509 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.5 t80 -75.13 22.85 0.11 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.186 0.994 . . . . 1.8 110.518 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' B' ' 86' ' ' HIS . 3.5 p-80 -49.31 13.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.317 1.599 . . . . 3.27 115.317 -177.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.9 t -74.67 -38.6 62.38 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.313 -0.995 . . . . 1.27 108.313 174.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 p80 168.2 78.63 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 114.531 -1.213 . . . . 3.4700000000000002 109.034 175.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.749 ' HE2' ' C ' ' B' ' 91' ' ' LYS . 0.6 OUTLIER -52.29 -52.68 51.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.12 -1.067 . . . . 3.4700000000000002 108.12 173.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.244 0.801 0 O-C-N 123.939 0.775 . . . . 7.0800000000000001 109.948 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 57.2 ttp . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.631 -0.137 . . . . 6.4199999999999999 110.631 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 p 49.49 45.52 23.94 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.336 0.654 . . . . 4.25 112.409 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 1' ' ' MET . 29.3 mtpp -117.08 14.92 15.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.421 . . . . 6.0499999999999998 110.229 178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.31 126.38 27.29 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.659 -0.701 . . . . 4.5 110.132 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.596 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.7 pt-20 45.84 19.25 0.05 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.397 1.079 . . . . 3.1000000000000001 113.289 -176.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -33.15 72.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.297 0.57 . . . . 2.5099999999999998 110.178 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.536 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 63.9 m-70 -82.99 -30.94 27.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.792 -0.64 . . . . 2.1600000000000001 110.594 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' CD1' ' HB1' ' B' ' 81' ' ' ALA . 87.6 mt -74.0 -60.6 2.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.166 0.508 . . . . 0.34000000000000002 110.78 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.06 -22.18 65.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.577 -0.738 . . . . 2.4100000000000001 109.128 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.717 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -62.52 -46.93 92.77 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.638 -0.71 . . . . 0.44 111.687 172.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.607 HG21 HG21 ' A' ' 78' ' ' VAL . 22.4 mm -62.48 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.217 0.532 . . . . 1.1599999999999999 110.01 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.515 ' CG1' ' HB2' ' B' ' 86' ' ' HIS . 33.9 t -49.92 -42.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.232 -0.894 . . . . 0.56999999999999995 111.101 171.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -78.73 -18.03 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.684 . . . . 1.4199999999999999 111.196 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.717 HG12 ' O ' ' A' ' 10' ' ' GLY . 48.6 mm -74.7 -36.56 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.066 0.46 . . . . 2.0600000000000001 109.876 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -64.63 -37.37 87.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.272 -1.01 . . . . 2.5699999999999998 108.272 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -69.98 -20.47 63.3 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.76 -1.109 . . . . 2.23 110.765 174.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.509 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 29.7 tt0 -64.84 -48.7 73.38 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.699 -0.482 . . . . 2.77 109.699 178.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 52.9 t80 -68.59 -59.3 3.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 119.815 -0.754 . . . . 6.25 110.127 169.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -91.0 87.77 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.068 0.461 . . . . 3.0099999999999998 110.358 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.0 -25.41 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.937 -0.574 . . . . 4.1299999999999999 110.937 -177.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -66.96 125.78 27.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 7.2800000000000002 110.405 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -81.78 100.31 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.256 0.551 . . . . 8.6999999999999993 110.766 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.14 -158.16 8.89 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.683 -0.69 . . . . 5.6699999999999999 111.511 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -134.03 -33.85 1.01 Allowed 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.646 -0.326 . . . . 8.2699999999999996 110.416 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -85.87 55.78 3.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.651 0.738 . . . . 7.5 109.432 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.06 112.34 24.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.504 -0.771 . . . . 5.6200000000000001 110.636 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 28' ' ' LEU . 2.9 t -150.99 -59.93 0.18 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.679 -0.691 . . . . 3.9399999999999999 110.361 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' H ' HG23 ' A' ' 27' ' ' THR . 96.1 mt 58.43 177.95 0.07 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.679 0.752 . . . . 2.9100000000000001 112.182 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 p -104.88 -178.8 3.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.552 -0.749 . . . . 1.3500000000000001 111.078 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 3.0 ttmp? -48.85 -20.04 0.45 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.527 1.306 . . . . 1.3200000000000001 114.527 -166.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.52 -42.11 26.41 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 114.474 0.55 . . . . 0.40000000000000002 114.474 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -82.34 -42.34 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.065 0.432 . . . . 2.4399999999999999 111.565 -173.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.501 HD11 ' HG ' ' A' ' 77' ' ' LEU . 14.5 tp -58.87 -42.43 89.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.389 -0.597 . . . . 0.52000000000000002 109.389 175.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HA ' HD13 ' A' ' 54' ' ' ILE . 27.8 ttpp -56.48 -46.19 80.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.015 -0.993 . . . . 1.8700000000000001 110.658 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.614 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 35.1 mt-30 -63.56 -61.77 2.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.509 -0.314 . . . . 2.46 110.784 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.652 HD11 HG22 ' A' ' 14' ' ' ILE . 10.5 tt -48.31 -50.11 31.42 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.586 0.554 . . . . 0.45000000000000001 111.084 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.1 mt -65.68 -47.26 76.06 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.378 0.51 . . . . 0.45000000000000001 112.378 -175.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 49' ' ' LYS . 34.7 p -67.64 -30.14 69.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.719 0.266 . . . . 1.23 111.719 -175.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.7 ptmm? -96.59 -37.94 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.326 0.491 . . . . 1.6100000000000001 112.326 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE2' ' HG3' ' A' ' 39' ' ' LYS . 13.5 mm-40 -94.47 -36.09 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 1.6699999999999999 111.214 -170.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD13 HD11 ' B' ' 8' ' ' LEU . 26.4 mt -116.94 29.43 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.373 0.606 . . . . 1.4199999999999999 109.632 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.1 -34.78 45.61 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.529 -1.214 . . . . 0.78000000000000003 113.254 -176.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -99.0 -10.78 22.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.783 0.325 . . . . 2.1600000000000001 111.488 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.616 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -91.19 -65.88 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.593 0.711 . . . . 0.66000000000000003 110.513 -168.329 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.4 mt -73.32 132.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 114.668 -1.151 . . . . 0.59999999999999998 109.227 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 125.84 25.26 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 123.139 0.274 . . . . 1.6100000000000001 110.583 -174.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.4 ' HB2' HG21 ' A' ' 53' ' ' VAL . 2.1 m-20 47.84 39.99 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.659 -0.701 . . . . 1.48 110.911 176.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 6.5 tp -60.94 -9.46 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.76 0.791 . . . . 0.55000000000000004 111.073 -176.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.7 mmmm -81.14 -7.89 59.65 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.192 -0.913 . . . . 1.1100000000000001 110.522 -178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 54' ' ' ILE . 3.1 t70 -95.59 132.47 40.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.825 -0.625 . . . . 1.5800000000000001 110.185 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -22.34 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 0.92000000000000004 110.051 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.27 -32.8 73.23 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.634 0.73 . . . . 0.67000000000000004 109.067 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.6 t -80.61 -46.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.561 -1.2 . . . . 0.59999999999999998 109.659 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 34' ' ' LYS . 47.5 mt -58.18 -36.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 0.41999999999999998 110.812 175.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -62.79 -52.87 61.51 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 115.543 -0.753 . . . . 1.53 109.135 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 41.9 mm-40 -47.62 -47.43 29.0 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.381 -0.827 . . . . 1.77 111.555 176.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.45 -59.22 4.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.935 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 27.4 t80 -59.56 -44.74 93.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.18 -0.463 . . . . 1.6799999999999999 110.52 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.11 -26.4 68.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.37 -0.832 . . . . 1.9199999999999999 110.24 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.7 63.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.53000000000000003 112.266 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.625 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mt -87.61 -46.89 9.14 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.897 -0.779 . . . . 0.57999999999999996 108.897 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.96 73.78 1.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.683 -1.144 . . . . 1.3999999999999999 110.514 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.13 63.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.083 -0.962 . . . . 1.3 110.682 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -73.37 -19.68 60.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.65 -0.704 . . . . 2.7999999999999998 110.286 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 61.61 38.6 15.31 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 114.89 -1.05 . . . . 2.7200000000000002 111.717 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -118.05 8.1 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.292 0.568 . . . . 2.1299999999999999 110.183 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 67.88 44.17 1.6 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.959 -1.019 . . . . 2.02 110.906 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -137.16 118.01 14.15 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.938 0.399 . . . . 2.1600000000000001 110.957 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 p -91.58 108.88 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.285 0.564 . . . . 1.8100000000000001 111.23 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.612 ' HB2' ' OE1' ' A' ' 73' ' ' GLU . 4.7 m-20 -81.98 179.14 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.801 -0.562 . . . . 2.02 109.755 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -60.37 -32.55 71.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.714 -0.394 . . . . 2.1699999999999999 110.324 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.449 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.7 tt0 -70.01 -43.11 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 1.6599999999999999 111.067 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 61' ' ' LEU . 3.7 mp0 -63.48 -41.41 98.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 1.99 109.524 175.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.2 t80 -65.75 -28.67 69.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.73 . . . . 1.9199999999999999 110.159 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.536 HG12 ' HB2' ' B' ' 82' ' ' LEU . 1.3 mt -65.17 -39.05 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 0.67000000000000004 109.255 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD13 ' A' ' 80' ' ' ILE . 27.8 m -64.19 -40.53 96.27 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.876 -1.056 . . . . 0.73999999999999999 109.673 176.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.511 HD23 ' CG2' ' A' ' 57' ' ' ILE . 1.4 tm? -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 1.1499999999999999 110.378 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.666 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 21.9 t -62.81 -33.45 60.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 0.33000000000000002 109.941 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -62.45 -48.25 80.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.0 -0.545 . . . . 0.42999999999999999 110.175 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -59.06 -43.84 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.358 -0.837 . . . . 0.40000000000000002 110.364 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -73.82 -30.25 62.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.197 -0.91 . . . . 0.28000000000000003 111.923 -174.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 48.5 mt -64.43 -42.89 95.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.124 0.488 . . . . 0.33000000000000002 109.69 173.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -61.07 -46.67 89.72 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 115.618 -0.719 . . . . 1.6699999999999999 109.568 173.31 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.46 -22.35 54.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.0 -0.545 . . . . 0.47999999999999998 111.919 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -81.06 -59.87 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.306 0.484 . . . . 0.56999999999999995 112.306 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.521 ' HB2' ' CG1' ' B' ' 12' ' ' VAL . 78.5 t60 -86.29 -36.35 19.37 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.138 0.494 . . . . 2.6800000000000002 111.26 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.557 ' C ' ' H ' ' A' ' 89' ' ' THR . 35.7 t80 -86.02 23.44 1.5 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.44 -0.8 . . . . 1.8 108.987 174.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.65 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 16.8 t-80 -46.61 19.2 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 126.651 1.981 . . . . 3.2599999999999998 115.2 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.557 ' H ' ' C ' ' A' ' 87' ' ' TYR . 11.6 t -93.84 21.14 6.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.691 -0.855 . . . . 1.26 108.691 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 89' ' ' THR . 16.5 m170 80.09 88.79 0.05 Allowed 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 114.039 -1.437 . . . . 3.4700000000000002 108.862 -174.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HG3' ' HB3' ' A' ' 83' ' ' LYS . 2.7 ttpp -52.22 -15.05 0.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.314 -1.312 . . . . 3.4700000000000002 111.386 173.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.245 0.861 0 C-N-CA 123.388 0.675 . . . . 7.0899999999999999 110.205 178.586 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.454 ' O ' ' HG3' ' B' ' 3' ' ' LYS . 56.5 ttp . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.459 0.171 . . . . 6.4199999999999999 110.554 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 29.7 p 49.97 45.0 25.56 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.397 0.679 . . . . 4.2599999999999998 112.391 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' B' ' 1' ' ' MET . 29.2 mtpp -116.7 15.0 15.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 6.04 110.185 179.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.21 126.24 26.65 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.683 -0.69 . . . . 4.5 110.12 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.616 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.7 pt-20 45.91 19.39 0.06 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.432 1.093 . . . . 3.1000000000000001 113.193 -176.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -33.25 73.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.477 0.656 . . . . 2.5099999999999998 110.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.542 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 63.6 m-70 -82.94 -31.0 27.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.803 -0.635 . . . . 2.1600000000000001 110.604 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.595 HD13 ' HB1' ' A' ' 81' ' ' ALA . 87.5 mt -73.9 -60.68 2.14 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.08 0.467 . . . . 0.34000000000000002 110.725 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.99 -22.36 65.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.532 -0.758 . . . . 2.4100000000000001 109.133 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.698 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -62.19 -47.22 91.24 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.551 -0.75 . . . . 0.44 111.59 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.601 HG21 HG21 ' B' ' 78' ' ' VAL . 22.5 mm -62.29 -45.42 98.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.235 0.54 . . . . 1.1599999999999999 110.043 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.521 ' CG1' ' HB2' ' A' ' 86' ' ' HIS . 34.7 t -50.06 -42.53 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.162 -0.927 . . . . 0.56999999999999995 111.18 171.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.75 -17.95 55.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 1.4199999999999999 111.327 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.698 HG12 ' O ' ' B' ' 10' ' ' GLY . 48.8 mm -74.74 -36.74 41.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.119 0.485 . . . . 2.0600000000000001 109.867 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.5 -37.62 88.18 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.238 -1.023 . . . . 2.5800000000000001 108.238 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -69.76 -20.59 63.49 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.651 -1.159 . . . . 2.23 110.887 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.505 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 29.8 tt0 -64.56 -49.11 72.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.608 -0.516 . . . . 2.77 109.608 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' B' ' 32' ' ' GLU . 53.7 t80 -68.23 -59.17 3.41 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.844 -0.742 . . . . 6.25 110.146 169.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -90.95 87.51 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 3.02 110.393 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 p -76.14 -24.89 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 4.1200000000000001 111.065 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -67.24 125.78 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 7.2800000000000002 110.324 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -81.57 100.27 9.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.135 0.493 . . . . 8.7100000000000009 110.779 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.73 -157.57 8.77 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.395 -0.682 . . . . 5.6799999999999997 111.395 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -134.78 -33.64 0.94 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.81 0.338 . . . . 8.2699999999999996 110.474 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -85.87 56.22 3.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.583 0.706 . . . . 7.5 109.275 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -98.57 112.3 24.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.537 -0.756 . . . . 5.6200000000000001 110.718 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.519 HG23 ' H ' ' B' ' 28' ' ' LEU . 2.8 t -151.21 -59.94 0.17 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.638 -0.71 . . . . 3.9500000000000002 110.324 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.519 ' H ' HG23 ' B' ' 27' ' ' THR . 95.6 mt 58.32 177.99 0.06 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.739 0.78 . . . . 2.9100000000000001 112.204 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -104.9 -178.79 3.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.522 -0.763 . . . . 1.3500000000000001 111.098 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 3.0 ttmp? -48.66 -20.12 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.575 1.324 . . . . 1.3200000000000001 114.575 -166.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.63 -42.2 27.39 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 114.403 0.521 . . . . 0.40000000000000002 114.403 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.525 ' HB3' ' CE1' ' B' ' 18' ' ' TYR . 0.0 OUTLIER -82.37 -42.21 18.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.011 0.405 . . . . 2.4300000000000002 111.551 -173.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.5 tp -58.89 -42.28 89.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.317 0.58 . . . . 0.52000000000000002 109.487 174.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.478 ' HA ' HD13 ' B' ' 54' ' ' ILE . 27.7 ttpp -56.72 -46.07 81.52 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.077 -0.965 . . . . 1.8700000000000001 110.755 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.631 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 35.2 mt-30 -63.61 -61.71 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.428 -0.351 . . . . 2.4500000000000002 110.686 174.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.661 HD11 HG22 ' B' ' 14' ' ' ILE . 10.5 tt -48.31 -50.22 30.96 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.634 0.584 . . . . 0.45000000000000001 111.121 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 80.6 mt -65.52 -47.34 76.27 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.442 0.534 . . . . 0.45000000000000001 112.442 -175.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.471 HG22 ' HA ' ' B' ' 49' ' ' LYS . 35.1 p -67.69 -29.87 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.796 0.295 . . . . 1.23 111.796 -175.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.6 ptmm? -96.75 -37.94 10.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.347 0.499 . . . . 1.6200000000000001 112.347 -177.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.443 ' OE2' ' HG3' ' B' ' 39' ' ' LYS . 14.4 mm-40 -94.52 -35.99 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.923 0.392 . . . . 1.6699999999999999 111.16 -170.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.505 HD13 HD11 ' A' ' 8' ' ' LEU . 26.4 mt -116.83 29.37 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.505 0.669 . . . . 1.4199999999999999 109.717 -176.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.21 -34.24 44.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.48 -1.237 . . . . 0.78000000000000003 113.311 -176.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -99.3 -10.99 21.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.739 0.304 . . . . 2.1600000000000001 111.585 -173.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.596 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -91.02 -65.83 0.98 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.553 0.692 . . . . 0.66000000000000003 110.5 -168.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.2 mt -73.39 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 114.602 -1.181 . . . . 0.59999999999999998 109.171 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.404 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -59.28 126.0 25.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 123.147 0.279 . . . . 1.6100000000000001 110.586 -174.238 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 47.82 40.02 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.612 -0.722 . . . . 1.48 110.948 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 6.5 tp -61.01 -9.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.887 0.851 . . . . 0.56000000000000005 111.063 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.471 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.7 mmmm -81.16 -7.98 59.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.145 -0.934 . . . . 1.1100000000000001 110.333 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.444 ' O ' HG13 ' B' ' 54' ' ' ILE . 2.8 t70 -95.46 132.33 40.65 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.912 -0.585 . . . . 1.5900000000000001 110.235 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -22.71 65.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.918 -0.583 . . . . 0.92000000000000004 109.943 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.26 -32.55 72.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.742 0.782 . . . . 0.67000000000000004 109.125 175.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.476 ' O ' HD13 ' B' ' 57' ' ' ILE . 21.5 t -80.62 -46.73 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.684 -1.143 . . . . 0.59999999999999998 109.647 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' B' ' 34' ' ' LYS . 47.7 mt -57.88 -36.4 55.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.685 -0.689 . . . . 0.41999999999999998 110.852 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.8 -52.88 61.45 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.438 -0.801 . . . . 1.53 109.134 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 35.4 mm-40 -47.73 -47.51 30.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.329 -0.85 . . . . 1.77 111.492 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.608 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -65.33 -59.09 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.95 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 27.3 t80 -59.6 -44.78 93.28 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.072 0.463 . . . . 1.6699999999999999 110.557 -172.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.02 -26.4 68.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.331 -0.849 . . . . 1.9099999999999999 110.217 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -26.71 63.56 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.957 -0.64 . . . . 0.53000000000000003 112.192 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' B' ' 73' ' ' GLU . 1.1 mt -87.61 -46.68 9.33 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.948 -0.76 . . . . 0.58999999999999997 108.948 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.25 74.14 1.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.637 -1.165 . . . . 1.3999999999999999 110.547 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.16 -21.49 63.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.146 -0.934 . . . . 1.3100000000000001 110.679 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -73.0 -19.82 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 2.7999999999999998 110.288 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 61.78 38.34 14.96 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 114.985 -1.007 . . . . 2.7200000000000002 111.82 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -117.83 7.62 12.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.341 0.591 . . . . 2.1400000000000001 110.161 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 68.33 44.12 1.39 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.055 -0.975 . . . . 2.0099999999999998 110.829 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -137.06 118.13 14.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.806 0.336 . . . . 2.1600000000000001 110.821 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.61 109.0 20.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.267 0.556 . . . . 1.8100000000000001 111.168 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.627 ' HB2' ' OE1' ' B' ' 73' ' ' GLU . 4.9 m-20 -81.95 179.14 7.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.846 -0.533 . . . . 2.02 109.827 172.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -60.33 -32.51 71.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.671 -0.412 . . . . 2.1800000000000002 110.378 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.457 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.4 tt0 -70.24 -42.9 71.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 1.6699999999999999 110.97 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' B' ' 61' ' ' LEU . 3.3 mp0 -63.6 -41.54 98.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.329 0.585 . . . . 1.99 109.527 175.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.531 ' O ' HG23 ' B' ' 78' ' ' VAL . 79.2 t80 -65.67 -28.67 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.529 -0.759 . . . . 1.9199999999999999 110.199 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.526 HG12 ' HB2' ' A' ' 82' ' ' LEU . 1.3 mt -65.17 -39.15 84.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.473 -0.785 . . . . 0.67000000000000004 109.361 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.557 ' O ' HD13 ' B' ' 80' ' ' ILE . 25.5 m -63.95 -40.59 96.77 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.792 -1.095 . . . . 0.73999999999999999 109.664 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.508 HD23 ' CG2' ' B' ' 57' ' ' ILE . 1.4 tm? -57.12 -45.97 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.1399999999999999 110.329 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.663 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 22.0 t -62.83 -33.41 60.1 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.884 -0.413 . . . . 0.33000000000000002 109.884 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -62.52 -48.04 81.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.257 0.551 . . . . 0.42999999999999999 110.132 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.557 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -59.23 -43.9 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.371 -0.831 . . . . 0.40000000000000002 110.287 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.598 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -73.82 -30.2 62.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.216 -0.902 . . . . 0.28000000000000003 111.918 -174.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 47.6 mt -64.54 -42.8 95.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.575 -0.528 . . . . 0.33000000000000002 109.575 173.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.0 OUTLIER -61.06 -46.71 89.56 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.665 -0.698 . . . . 1.6699999999999999 109.537 173.314 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.45 -22.24 53.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.988 -0.551 . . . . 0.47999999999999998 111.995 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -81.16 -59.64 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.378 0.51 . . . . 0.56999999999999995 112.378 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.515 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 78.4 t60 -86.52 -36.32 19.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.417 0.627 . . . . 2.6800000000000002 111.349 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.557 ' C ' ' H ' ' B' ' 89' ' ' THR . 35.7 t80 -86.03 23.57 1.47 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.45 -0.795 . . . . 1.8 108.989 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.624 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 16.7 t-80 -46.78 19.31 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 126.682 1.993 . . . . 3.27 115.208 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.557 ' H ' ' C ' ' B' ' 87' ' ' TYR . 11.6 t -94.06 21.29 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.807 -0.812 . . . . 1.27 108.807 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' B' ' 89' ' ' THR . 16.5 m170 79.93 88.93 0.05 Allowed 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 113.877 -1.51 . . . . 3.4700000000000002 108.88 -175.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.448 ' HG3' ' HB3' ' B' ' 83' ' ' LYS . 2.5 ttpp -52.18 -15.13 0.52 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.316 -1.311 . . . . 3.4700000000000002 111.371 173.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 . . . . . 0 C--O 1.248 1.014 0 C-N-CA 123.438 0.695 . . . . 7.0800000000000001 110.214 178.654 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.746 0.308 . . . . 6.4199999999999999 110.243 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 m -142.81 -49.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.915 -0.314 . . . . 4.25 111.394 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -78.51 -4.89 50.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.439 . . . . 6.0499999999999998 111.2 -173.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' C ' ' H ' ' A' ' 6' ' ' GLU . 30.9 tp -84.96 151.21 24.38 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.341 -0.615 . . . . 4.5 109.341 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 2.3 pm0 -73.58 32.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.315 0.579 . . . . 3.1000000000000001 111.37 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 4' ' ' LEU . 9.0 tp10 -65.63 -18.37 65.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.343 -0.844 . . . . 2.5099999999999998 109.647 176.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.57 ' O ' HG13 ' A' ' 11' ' ' ILE . 55.7 m-70 -62.82 -57.86 9.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.805 -0.813 . . . . 2.1600000000000001 108.805 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.678 HD13 ' HB1' ' B' ' 81' ' ' ALA . 31.1 mt -74.54 -56.05 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.843 -1.072 . . . . 0.34000000000000002 111.256 -175.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.03 -21.99 66.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 2.4100000000000001 110.612 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.5 -40.67 53.7 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.86 -0.686 . . . . 0.44 111.757 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 7' ' ' HIS . 76.2 mt -69.1 -37.98 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.497 0.665 . . . . 1.1599999999999999 110.028 177.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' B' ' 85' ' ' ALA . 74.2 t -66.91 -35.68 75.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.541 -0.754 . . . . 0.56999999999999995 110.607 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.68 -40.83 69.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 1.4199999999999999 111.284 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 11' ' ' ILE . 33.6 pt -66.77 -29.1 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.265 -0.574 . . . . 2.0600000000000001 110.497 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.53 -35.36 78.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.222 -0.659 . . . . 2.5699999999999998 109.222 174.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -66.98 -21.42 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.636 -0.711 . . . . 2.23 110.773 174.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.66 -53.75 6.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.415 -0.357 . . . . 2.77 111.299 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -83.1 -34.29 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.511 0.56 . . . . 6.25 112.511 -171.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.1 t -80.71 -73.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.321 . . . . 3.0099999999999998 110.839 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.413 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 10.9 m -120.51 -131.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.459 -0.337 . . . . 4.1299999999999999 110.922 -176.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' H ' ' HB ' ' A' ' 20' ' ' VAL . 61.8 mtt180 -118.56 -156.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.097 -0.705 . . . . 7.2800000000000002 109.097 175.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -80.51 48.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.308 0.575 . . . . 8.6999999999999993 110.835 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.14 176.16 34.12 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.847 -0.615 . . . . 5.6699999999999999 111.85 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -92.45 -27.14 17.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.912 0.356 . . . . 8.2699999999999996 111.076 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 75.5 m-85 -131.42 -163.04 1.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.522 -0.308 . . . . 7.5 110.613 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 49.9 m-20 78.18 130.78 0.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.251 0.969 . . . . 5.6200000000000001 111.822 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.504 HG21 ' HA ' ' A' ' 70' ' ' ASP . 8.9 t -179.74 148.1 0.31 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.928 -1.033 . . . . 3.9399999999999999 108.909 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB2' ' OE1' ' A' ' 32' ' ' GLU . 90.8 mt -125.54 -138.34 0.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.635 0.606 . . . . 2.9100000000000001 112.635 -171.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -94.74 -170.89 2.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.367 0.877 . . . . 1.3500000000000001 113.367 -166.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 10.5 ttmm -47.41 -37.97 12.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.793 1.035 . . . . 1.3200000000000001 113.793 -172.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.29 -57.77 4.82 Favored Glycine 0 N--CA 1.465 0.615 0 N-CA-C 114.975 0.75 . . . . 0.40000000000000002 114.975 -172.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE1' ' HB2' ' A' ' 28' ' ' LEU . 2.8 pt-20 -65.14 -36.23 83.6 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.461 0.541 . . . . 2.4399999999999999 112.461 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.571 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 18.1 tp -66.02 -45.03 82.99 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.783 -0.821 . . . . 0.52000000000000002 108.783 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HA ' HD13 ' A' ' 54' ' ' ILE . 13.1 tmtt? -57.72 -44.85 86.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.662 -1.154 . . . . 1.8700000000000001 110.449 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 36.5 tt0 -55.03 -59.02 5.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.978 -0.555 . . . . 2.46 110.171 174.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 9.8 tt -49.6 -60.46 2.84 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.943 -0.571 . . . . 0.45000000000000001 110.206 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.1 mt -53.24 -47.62 68.89 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 113.319 0.859 . . . . 0.45000000000000001 113.319 -173.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 49' ' ' LYS . 21.1 p -66.6 -38.18 86.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.05 0.389 . . . . 1.23 112.05 -173.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 13.3 ptmt -97.73 -22.9 16.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.422 0.897 . . . . 1.6100000000000001 113.422 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 42.0 tp10 -102.93 -35.49 8.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.84 0.352 . . . . 1.6699999999999999 111.033 -170.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD22 ' CD1' ' B' ' 8' ' ' LEU . 35.1 mt -120.0 30.25 7.11 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.574 0.702 . . . . 1.4199999999999999 109.396 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.06 -36.37 50.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.387 -1.279 . . . . 0.78000000000000003 113.44 -174.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.61 33.91 5.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.443 0.64 . . . . 2.1600000000000001 110.626 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.541 HG21 HD12 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -113.58 -61.65 1.71 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.747 0.784 . . . . 0.66000000000000003 109.581 175.353 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.562 HG21 HD11 ' A' ' 57' ' ' ILE . 23.4 mt -85.72 137.54 20.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.492 -1.231 . . . . 0.59999999999999998 109.73 -175.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -55.31 126.08 23.48 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.545 0.212 . . . . 1.6100000000000001 110.44 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.492 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 43.26 44.33 4.52 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.506 -0.77 . . . . 1.48 112.187 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.561 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.7 tp -62.01 -6.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.924 0.868 . . . . 0.55000000000000004 110.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.7 OUTLIER -84.53 -10.64 57.25 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.201 -0.909 . . . . 1.1100000000000001 110.173 179.575 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.1 m-20 -90.85 128.7 36.83 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.615 -0.72 . . . . 1.5800000000000001 111.206 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.05 -29.58 70.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.929 -1.032 . . . . 0.92000000000000004 110.226 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -66.37 -36.69 83.52 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.581 -0.736 . . . . 0.67000000000000004 109.165 177.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 32.1 t -74.71 -43.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.523 -1.217 . . . . 0.59999999999999998 109.673 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 50' ' ' ASP . 29.3 mt -65.2 -36.7 78.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 114.911 -1.04 . . . . 0.41999999999999998 110.873 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 34.3 t70 -64.32 -49.89 69.97 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.557 -0.747 . . . . 1.53 109.333 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.4 mm-40 -47.3 -47.13 25.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.882 -1.054 . . . . 1.77 111.048 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.562 HD11 HG21 ' A' ' 45' ' ' ILE . 86.8 mt -70.09 -53.87 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.397 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 17.2 t80 -55.39 -47.65 75.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.6799999999999999 110.235 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 60.5 mm-40 -60.93 -31.05 70.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 1.9199999999999999 109.987 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.49 -25.6 75.34 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.737 -0.665 . . . . 0.53000000000000003 112.287 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -88.2 -50.43 6.37 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.727 -0.842 . . . . 0.57999999999999996 108.727 177.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.56 73.92 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.625 -1.17 . . . . 1.3999999999999999 110.83 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.03 -16.67 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.464 -0.789 . . . . 1.3 109.582 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -73.54 -18.69 61.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.989 -1.005 . . . . 2.7999999999999998 110.298 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 61.42 37.96 16.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.754 -1.112 . . . . 2.7200000000000002 111.444 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -109.92 -3.04 16.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.54 0.686 . . . . 2.1299999999999999 109.893 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 61.64 47.38 6.45 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.721 -1.127 . . . . 2.02 110.133 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 9.7 pt20 -142.82 118.73 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.671 -0.695 . . . . 2.1600000000000001 110.084 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.06 106.52 12.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.39 0.614 . . . . 1.8100000000000001 110.404 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.512 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 4.9 m-20 -77.64 174.52 10.83 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.318 -0.623 . . . . 2.02 109.318 172.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -62.65 -32.22 73.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.386 -0.526 . . . . 2.1699999999999999 110.012 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.519 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 35.3 tt0 -69.92 -40.9 75.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 1.6599999999999999 110.895 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 70' ' ' ASP . 3.9 mm-40 -68.85 -33.95 74.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.563 0.697 . . . . 1.99 109.343 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 78' ' ' VAL . 70.9 t80 -69.8 -24.08 63.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.542 -0.754 . . . . 1.9199999999999999 109.933 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.569 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.2 mt -67.86 -42.17 85.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.751 -0.659 . . . . 0.67000000000000004 109.679 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.3 -28.61 66.41 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.105 -0.498 . . . . 0.73999999999999999 110.394 174.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.539 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.1 tm? -58.74 -45.63 89.25 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.724 -0.472 . . . . 1.1499999999999999 109.724 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.0 t -66.28 -32.0 56.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.927 -0.579 . . . . 0.33000000000000002 110.073 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.52 98.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.394 0.616 . . . . 0.42999999999999999 109.912 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.87 -45.59 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.119 -0.946 . . . . 0.40000000000000002 110.237 174.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.63 -22.91 50.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 0.28000000000000003 112.31 -173.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 62.6 mt -67.7 -39.94 84.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.336 0.589 . . . . 0.33000000000000002 109.594 173.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 9.4 mttt -75.53 -19.85 59.08 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.764 -0.653 . . . . 1.6699999999999999 110.541 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -68.9 -24.88 64.36 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.864 -0.421 . . . . 0.47999999999999998 109.864 169.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.44 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -84.18 -55.13 4.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 0.56999999999999995 111.391 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -75.78 -56.12 4.98 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.16 0.505 . . . . 2.6800000000000002 111.313 -178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.518 ' HB2' ' HG2' ' A' ' 83' ' ' LYS . 2.7 t80 -83.51 22.32 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 1.8 109.956 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -45.87 -2.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.007 1.323 . . . . 3.2599999999999998 113.806 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 87' ' ' TYR . 8.6 t -69.89 -30.04 67.39 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.512 -0.922 . . . . 1.26 108.512 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 156.41 80.59 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.37 1.468 . . . . 3.4700000000000002 108.449 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -60.25 -33.92 72.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.587 -0.894 . . . . 3.4700000000000002 108.587 175.655 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.467 ' OXT' ' HG2' ' A' ' 46' ' ' LYS . 13.6 tp10 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 114.983 -1.008 . . . . 7.0899999999999999 109.039 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.663 0.268 . . . . 6.4199999999999999 110.366 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.7 m -142.51 -49.15 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 121.147 -0.221 . . . . 4.2599999999999998 111.436 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -78.43 -4.88 50.56 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.207 0.527 . . . . 6.04 111.178 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' B' ' 6' ' ' GLU . 30.8 tp -84.9 151.04 24.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.818 -0.628 . . . . 4.5 109.434 175.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' B' ' 5' ' ' GLU . 2.3 pm0 -73.73 32.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.333 0.587 . . . . 3.1000000000000001 111.172 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' B' ' 4' ' ' LEU . 8.7 tp10 -65.7 -18.28 65.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.312 -0.858 . . . . 2.5099999999999998 109.671 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.554 ' O ' HG13 ' B' ' 11' ' ' ILE . 55.9 m-70 -62.91 -57.9 9.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.817 -0.808 . . . . 2.1600000000000001 108.817 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.666 HD13 ' HB1' ' A' ' 81' ' ' ALA . 31.0 mt -74.34 -56.09 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.8 -1.091 . . . . 0.34000000000000002 111.222 -175.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.1 -22.18 66.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.858 0.361 . . . . 2.4100000000000001 110.629 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.24 -40.75 55.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.987 -0.625 . . . . 0.44 111.764 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 7' ' ' HIS . 76.3 mt -69.25 -38.07 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.472 0.653 . . . . 1.1599999999999999 109.992 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.44 HG21 ' HB3' ' A' ' 85' ' ' ALA . 73.6 t -66.7 -35.92 75.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.693 -0.685 . . . . 0.56999999999999995 110.575 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -71.62 -40.79 69.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 1.4199999999999999 111.267 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 pt -66.88 -28.94 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.217 -0.593 . . . . 2.0600000000000001 110.516 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.6 -35.29 78.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.185 -0.672 . . . . 2.5800000000000001 109.185 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -67.07 -21.38 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.642 -0.708 . . . . 2.23 110.722 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -80.73 -53.38 6.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.383 -0.371 . . . . 2.77 111.307 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -83.47 -34.45 25.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.489 0.552 . . . . 6.25 112.489 -172.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -80.22 -73.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.418 . . . . 3.02 110.963 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 m -120.46 -131.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.235 -0.439 . . . . 4.1200000000000001 110.971 -176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -118.79 -156.91 0.67 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.052 -0.721 . . . . 7.2800000000000002 109.052 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -80.2 48.31 0.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.056 0.455 . . . . 8.7100000000000009 110.927 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.6 176.02 33.39 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.66 -0.576 . . . . 5.6799999999999997 111.66 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -92.12 -27.01 18.01 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.986 0.393 . . . . 8.2699999999999996 111.178 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' B' ' 26' ' ' ASP . 75.9 m-85 -131.24 -162.53 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.586 -0.279 . . . . 7.5 110.647 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' B' ' 25' ' ' PHE . 49.0 m-20 77.51 130.78 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 124.201 0.938 . . . . 5.6200000000000001 111.811 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.487 HG21 ' HA ' ' B' ' 70' ' ' ASP . 8.9 t -179.26 148.65 0.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.888 -1.051 . . . . 3.9500000000000002 108.765 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' OE1' ' B' ' 32' ' ' GLU . 91.1 mt -125.78 -137.92 0.27 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.587 0.588 . . . . 2.9100000000000001 112.587 -171.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.9 m -95.35 -171.31 2.36 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.218 0.821 . . . . 1.3500000000000001 113.218 -166.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.501 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 10.5 ttmm -47.05 -38.06 10.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.744 1.016 . . . . 1.3200000000000001 113.744 -172.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.67 4.78 Favored Glycine 0 N--CA 1.466 0.648 0 N-CA-C 114.877 0.711 . . . . 0.40000000000000002 114.877 -172.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.486 ' OE1' ' HB2' ' B' ' 28' ' ' LEU . 2.7 pt-20 -65.36 -36.35 83.73 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.493 0.553 . . . . 2.4300000000000002 112.493 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.57 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 18.0 tp -65.76 -45.22 83.37 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.817 -0.808 . . . . 0.52000000000000002 108.817 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.401 ' HG2' ' CD1' ' B' ' 54' ' ' ILE . 13.1 tmtt? -57.59 -44.63 85.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.654 -1.157 . . . . 1.8700000000000001 110.578 178.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 36.2 tt0 -55.23 -59.09 5.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.018 -0.537 . . . . 2.4500000000000002 110.105 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' B' ' 40' ' ' GLU . 9.8 tt -49.39 -60.65 2.65 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 123.656 0.598 . . . . 0.45000000000000001 110.17 178.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.2 mt -53.06 -47.72 68.23 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 113.389 0.885 . . . . 0.45000000000000001 113.389 -173.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.45 HG22 ' HA ' ' B' ' 49' ' ' LYS . 20.2 p -66.58 -38.32 86.8 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 1.23 112.062 -173.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 13.2 ptmt -97.52 -23.19 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.295 0.85 . . . . 1.6200000000000001 113.295 -176.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' B' ' 36' ' ' LEU . 41.4 tp10 -102.6 -35.42 8.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.736 0.303 . . . . 1.6699999999999999 111.04 -170.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 8' ' ' LEU . 35.4 mt -120.1 30.32 7.06 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.495 0.665 . . . . 1.4199999999999999 109.4 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.32 -35.86 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.376 -1.284 . . . . 0.78000000000000003 113.544 -174.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.92 34.11 5.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.392 0.615 . . . . 2.1600000000000001 110.597 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.527 HG21 HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -113.75 -61.83 1.68 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.728 0.775 . . . . 0.66000000000000003 109.628 175.294 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 23.6 mt -85.71 137.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.408 -1.269 . . . . 0.59999999999999998 109.773 -175.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.484 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -55.2 126.29 24.2 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.129 0.268 . . . . 1.6100000000000001 110.484 -178.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.484 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.7 m-20 42.88 44.55 3.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 124.028 0.83 . . . . 1.48 112.22 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.567 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 8.7 tp -62.13 -6.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.922 0.868 . . . . 0.56000000000000005 110.84 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.45 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.29 -10.82 57.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.148 -0.933 . . . . 1.1100000000000001 110.136 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.492 ' O ' HG13 ' B' ' 54' ' ' ILE . 1.1 m-20 -90.9 128.81 36.9 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.684 -0.689 . . . . 1.5900000000000001 111.104 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -62.14 -29.48 70.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.982 -1.008 . . . . 0.92000000000000004 110.135 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -66.72 -36.15 81.79 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.592 -0.731 . . . . 0.67000000000000004 109.209 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.408 HG11 ' O ' ' B' ' 46' ' ' LYS . 32.0 t -75.14 -43.54 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.54 -1.209 . . . . 0.59999999999999998 109.652 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 50' ' ' ASP . 29.9 mt -65.42 -36.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 0.41999999999999998 110.861 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 35.9 t70 -64.42 -49.84 69.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.601 -0.727 . . . . 1.53 109.347 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 15.9 mm-40 -47.54 -46.78 28.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.919 -1.037 . . . . 1.77 111.114 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.555 HD11 HG21 ' B' ' 45' ' ' ILE . 86.6 mt -70.37 -53.72 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.378 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' B' ' 30' ' ' LYS . 16.9 t80 -55.6 -47.34 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 1.6699999999999999 110.283 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 60.5 mm-40 -61.09 -31.21 70.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 1.9099999999999999 109.927 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.06 -26.21 74.85 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.627 -0.715 . . . . 0.53000000000000003 112.159 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' B' ' 77' ' ' LEU . 0.6 OUTLIER -87.8 -50.8 6.23 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.744 -0.836 . . . . 0.58999999999999997 108.744 177.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.46 74.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.7 -1.136 . . . . 1.3999999999999999 110.82 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.32 -16.56 59.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.474 -0.785 . . . . 1.3100000000000001 109.513 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.42 -18.45 61.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.985 -1.007 . . . . 2.7999999999999998 110.3 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.84 38.7 17.75 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.787 -1.097 . . . . 2.7200000000000002 111.446 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -110.52 -2.91 16.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.447 0.642 . . . . 2.1400000000000001 109.938 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 61.22 47.56 6.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 114.716 -1.129 . . . . 2.0099999999999998 110.236 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' B' ' 68' ' ' GLN . 9.7 pt20 -142.94 118.63 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.617 -0.72 . . . . 2.1600000000000001 110.136 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.27 106.53 12.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.551 0.691 . . . . 1.8100000000000001 110.504 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' B' ' 73' ' ' GLU . 5.3 m-20 -77.61 174.46 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.248 -0.649 . . . . 2.02 109.248 172.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -62.74 -32.3 73.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.446 -0.501 . . . . 2.1800000000000002 110.007 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 35.5 tt0 -69.62 -41.08 76.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.574 . . . . 1.6699999999999999 111.104 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' B' ' 70' ' ' ASP . 3.9 mm-40 -68.86 -33.78 74.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.642 0.734 . . . . 1.99 109.372 177.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.5 t80 -69.76 -24.1 63.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.644 -0.707 . . . . 1.9199999999999999 110.043 174.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.2 mt -67.94 -42.02 85.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 0.67000000000000004 109.681 176.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.626 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.1 p -69.28 -28.68 66.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.151 -0.477 . . . . 0.73999999999999999 110.345 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.543 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.1 tm? -58.86 -45.52 89.93 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.719 -0.474 . . . . 1.1399999999999999 109.719 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.555 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 40.1 t -66.16 -32.37 57.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.966 -0.561 . . . . 0.33000000000000002 110.03 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.68 98.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.499 0.666 . . . . 0.42999999999999999 109.977 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.69 -45.62 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.119 -0.946 . . . . 0.40000000000000002 110.22 174.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.678 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.84 -22.7 49.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.568 -0.742 . . . . 0.28000000000000003 112.353 -173.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 63.5 mt -67.89 -39.87 83.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 0.33000000000000002 109.624 173.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 9.3 mttt -75.47 -19.93 59.11 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.705 -0.68 . . . . 1.6699999999999999 110.429 174.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -69.02 -24.78 64.24 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.021 0.438 . . . . 0.47999999999999998 109.834 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -84.16 -55.2 4.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.56999999999999995 111.305 175.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -75.84 -55.92 5.17 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.298 0.571 . . . . 2.6800000000000002 111.314 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.505 ' HB2' ' HG2' ' B' ' 83' ' ' LYS . 2.7 t80 -83.59 22.34 1.09 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.64 -0.709 . . . . 1.8 109.905 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -45.76 -3.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.0 1.32 . . . . 3.27 113.779 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.497 ' H ' ' C ' ' B' ' 87' ' ' TYR . 8.7 t -69.98 -29.82 67.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.619 -0.882 . . . . 1.27 108.619 177.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 156.01 80.31 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 125.427 1.491 . . . . 3.4700000000000002 108.568 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -60.1 -33.64 72.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.592 -0.892 . . . . 3.4700000000000002 108.592 175.484 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.483 ' OXT' ' HG2' ' B' ' 46' ' ' LYS . 14.2 tp10 . . . . . 0 C--O 1.243 0.755 0 CA-C-N 115.0 -1.0 . . . . 7.0800000000000001 109.154 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.892 -0.411 . . . . 6.4199999999999999 109.892 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -67.76 129.08 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.584 -0.525 . . . . 4.25 109.584 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.636 ' HB3' ' O ' ' B' ' 40' ' ' GLU . 63.9 mttp -85.79 -16.83 37.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.926 0.393 . . . . 6.0499999999999998 111.045 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt 67.38 12.48 8.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.646 . . . . 4.5 111.567 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -72.2 -8.39 54.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.441 0.639 . . . . 3.1000000000000001 109.772 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.89 -20.35 56.75 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.037 -0.983 . . . . 2.5099999999999998 110.218 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.559 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 81.6 m-70 -72.81 -43.07 63.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.851 -0.425 . . . . 2.1600000000000001 109.851 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.86 HD13 ' HB1' ' B' ' 81' ' ' ALA . 83.9 mt -68.41 -60.78 2.19 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.93 0.395 . . . . 0.34000000000000002 110.753 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.16 -22.64 66.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 2.4100000000000001 110.65 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.616 ' O ' HG13 ' A' ' 14' ' ' ILE . . . -71.73 -38.27 61.05 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.638 -0.71 . . . . 0.44 112.181 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' HIS . 71.9 mt -66.8 -38.68 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.075 -0.713 . . . . 1.1599999999999999 109.075 174.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.94 -33.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.915 -1.039 . . . . 0.56999999999999995 110.22 172.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.28 -34.89 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 1.4199999999999999 111.074 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 10' ' ' GLY . 22.8 mt -68.11 -38.71 80.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.235 0.54 . . . . 2.0600000000000001 109.551 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 8.4 t80 -59.03 -47.64 84.48 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.724 -0.843 . . . . 2.5699999999999998 108.724 171.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.13 -23.84 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.774 -1.103 . . . . 2.23 110.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -70.48 -60.54 2.21 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.441 -0.345 . . . . 2.77 110.622 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 15' ' ' PHE . 29.9 p90 -73.29 -4.28 32.26 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.826 -0.75 . . . . 6.25 111.23 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -85.67 13.43 7.1 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.336 0.589 . . . . 3.0099999999999998 109.553 172.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t 60.78 33.5 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.915 0.865 . . . . 4.1299999999999999 110.675 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 57.4 33.92 23.95 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.845 -1.071 . . . . 7.2800000000000002 113.33 172.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -156.39 -67.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.84 -0.344 . . . . 8.6999999999999993 111.016 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.2 -123.65 0.86 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.35 -0.929 . . . . 5.6699999999999999 112.577 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.4 m80 61.45 38.1 16.16 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.114 0.483 . . . . 8.2699999999999996 110.28 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.526 ' HA ' HD13 ' A' ' 28' ' ' LEU . 8.9 p90 -81.85 56.7 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 7.5 111.022 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.94 -44.99 4.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.617 -0.72 . . . . 5.6200000000000001 110.606 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 m -87.33 -80.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 3.9399999999999999 110.357 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.526 HD13 ' HA ' ' A' ' 25' ' ' PHE . 10.1 mp 45.08 58.24 4.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.509 0.671 . . . . 2.9100000000000001 111.361 178.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -81.15 -170.52 2.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.522 -0.763 . . . . 1.3500000000000001 111.441 -176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HD2' ' CE ' ' A' ' 51' ' ' LYS . 16.7 ttmt -54.24 -31.96 54.72 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.559 -0.291 . . . . 1.3200000000000001 111.729 -172.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.567 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -57.7 -45.03 93.81 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.198 -0.525 . . . . 0.40000000000000002 113.148 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 23.8 mm-40 -67.92 -44.03 77.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.399 0.619 . . . . 2.4399999999999999 110.155 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 26.1 tp -64.43 -43.02 95.63 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.101 -0.954 . . . . 0.52000000000000002 110.004 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 1.5 pptp? -64.73 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 1.8700000000000001 110.329 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.714 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 38.5 mt-30 -61.55 -63.78 1.16 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.468 -0.567 . . . . 2.46 109.468 172.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' CD1' HG22 ' A' ' 14' ' ' ILE . 9.9 tt -48.77 -48.25 41.12 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.91 0.756 . . . . 0.45000000000000001 110.745 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 96.2 mt -63.77 -53.37 52.08 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.097 0.777 . . . . 0.45000000000000001 113.097 -174.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 49' ' ' LYS . 36.3 p -66.28 -32.56 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.951 0.352 . . . . 1.23 111.951 -173.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.9 ptmm? -96.29 -35.54 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 1.6100000000000001 112.673 -175.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.64 ' O ' ' HB3' ' B' ' 3' ' ' LYS . 10.4 mm-40 -95.79 -43.56 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.125 0.488 . . . . 1.6699999999999999 110.907 -171.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD22 HD11 ' B' ' 8' ' ' LEU . 13.6 mt -105.41 26.56 9.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 1.4199999999999999 109.659 -174.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -48.76 -38.87 23.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 114.528 -1.214 . . . . 0.78000000000000003 113.411 -175.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -115.23 18.83 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.495 -0.482 . . . . 2.1600000000000001 111.326 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.414 HG21 ' CD1' ' B' ' 8' ' ' LEU . 1.6 m -103.2 -54.23 2.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.434 0.635 . . . . 0.66000000000000003 110.1 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 57' ' ' ILE . 54.0 mt -92.11 143.85 10.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.185 -0.916 . . . . 0.59999999999999998 109.814 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -60.68 123.78 18.46 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.183 -0.302 . . . . 1.6100000000000001 110.183 -176.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.488 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 4.5 m-20 42.85 45.06 4.14 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.518 -0.765 . . . . 1.48 111.859 177.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 8.0 tp -60.6 -4.99 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 0.55000000000000004 111.257 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.517 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.1 OUTLIER -82.95 -16.93 45.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.194 -0.912 . . . . 1.1100000000000001 110.084 -179.458 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' HG13 ' A' ' 54' ' ' ILE . 7.3 m-20 -84.83 128.52 34.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.335 -0.848 . . . . 1.5800000000000001 111.366 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.546 ' CE ' ' HD2' ' A' ' 30' ' ' LYS . 23.0 tptm -63.48 -25.55 68.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.162 -0.926 . . . . 0.92000000000000004 110.247 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -70.7 -37.32 73.57 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.409 0.623 . . . . 0.67000000000000004 109.322 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG22 ' HE3' ' A' ' 46' ' ' LYS . 26.2 t -71.82 -43.24 69.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.823 -1.08 . . . . 0.59999999999999998 109.077 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 34' ' ' LYS . 54.0 mt -64.57 -35.84 75.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 114.719 -1.128 . . . . 0.41999999999999998 111.356 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 14.6 t70 -63.84 -51.65 63.7 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.902 -0.777 . . . . 1.53 108.902 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 17.9 mm-40 -48.87 -44.31 39.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.613 -1.176 . . . . 1.77 111.345 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 72.7 mt -70.99 -57.65 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.412 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 80.2 t80 -52.93 -47.15 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 1.6799999999999999 110.788 -178.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 15.9 mm100 -66.79 -26.88 67.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.5 -0.773 . . . . 1.9199999999999999 110.454 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.68 -32.07 54.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.014 -0.613 . . . . 0.53000000000000003 112.701 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -82.67 -40.23 20.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.19 -0.671 . . . . 0.57999999999999996 109.19 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -76.24 73.01 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.199 -0.91 . . . . 1.3999999999999999 110.746 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.21 62.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.218 -0.901 . . . . 1.3 109.891 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -20.21 56.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.038 -0.983 . . . . 2.7999999999999998 110.295 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.35 35.55 20.61 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.852 -1.067 . . . . 2.7200000000000002 110.863 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -119.72 8.58 11.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 2.1299999999999999 111.231 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 40.7 tt0 64.9 49.11 2.21 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.424 0.631 . . . . 2.02 110.41 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.37 119.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.137 0.494 . . . . 2.1600000000000001 111.824 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -88.63 107.45 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.06 -0.518 . . . . 1.8100000000000001 110.631 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.506 ' H ' ' CG ' ' A' ' 73' ' ' GLU . 6.3 t70 -94.71 -173.61 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.145 -1.057 . . . . 2.02 108.145 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -61.75 -42.49 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.196 0.453 . . . . 2.1699999999999999 111.592 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -70.79 -40.91 72.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.355 0.598 . . . . 1.6599999999999999 110.383 -178.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.6 mm-40 -60.99 -39.59 90.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.475 -0.935 . . . . 1.99 108.475 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 78' ' ' VAL . 63.3 t80 -67.72 -28.58 67.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.42 -0.809 . . . . 1.9199999999999999 110.58 175.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.571 ' CD1' ' HG2' ' B' ' 83' ' ' LYS . 0.8 OUTLIER -65.85 -37.2 79.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.623 -0.717 . . . . 0.67000000000000004 109.235 176.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' HD13 ' A' ' 80' ' ' ILE . 29.1 m -63.0 -39.89 96.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.361 -0.836 . . . . 0.73999999999999999 109.304 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD23 HG21 ' A' ' 57' ' ' ILE . 1.9 tm? -58.89 -43.36 90.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 1.1499999999999999 110.158 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -66.16 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.935 -0.394 . . . . 0.33000000000000002 109.935 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.89 -50.42 73.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.264 0.554 . . . . 0.42999999999999999 109.78 173.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -57.62 -41.05 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.154 -0.93 . . . . 0.40000000000000002 110.477 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.843 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -72.29 -42.52 65.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.368 -0.833 . . . . 0.28000000000000003 112.361 -174.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 83.5 mt -68.34 -39.07 82.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.105 0.479 . . . . 0.33000000000000002 109.844 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.1 OUTLIER -56.24 -56.22 23.63 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.353 -0.84 . . . . 1.6699999999999999 109.64 172.245 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -63.29 -20.87 65.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.25 0.463 . . . . 0.47999999999999998 112.25 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 88' ' ' HIS . . . -69.98 -60.37 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.723 0.268 . . . . 0.56999999999999995 111.723 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.438 ' C ' ' H ' ' A' ' 88' ' ' HIS . 42.9 t-80 -86.39 -39.18 16.65 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.431 0.634 . . . . 2.6800000000000002 110.964 -178.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.493 ' C ' ' H ' ' A' ' 89' ' ' THR . 15.3 t80 -84.13 23.25 1.08 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.885 0.874 . . . . 1.8 109.164 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 46.0 t60 -49.79 19.47 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.261 1.824 . . . . 3.2599999999999998 115.291 -176.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 87' ' ' TYR . 2.1 t -66.39 -35.09 79.45 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.13 -1.063 . . . . 1.26 108.13 172.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 167.97 -29.45 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.448 -1.251 . . . . 3.4700000000000002 109.3 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HE2' HG23 ' A' ' 80' ' ' ILE . 9.8 ttpp 71.22 -52.76 0.68 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.168 -0.924 . . . . 3.4700000000000002 109.535 -174.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 . . . . . 0 C--O 1.246 0.9 0 CA-C-N 115.262 -0.881 . . . . 7.0899999999999999 110.102 -177.747 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.863 -0.421 . . . . 6.4199999999999999 109.863 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t -68.46 129.38 39.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.475 -0.565 . . . . 4.2599999999999998 109.475 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.64 ' HB3' ' O ' ' A' ' 40' ' ' GLU . 64.0 mttp -86.15 -16.96 36.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.024 0.44 . . . . 6.04 110.967 -176.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt 67.54 12.38 8.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.687 -0.688 . . . . 4.5 111.569 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -72.03 -8.29 53.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.477 0.656 . . . . 3.1000000000000001 109.953 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.88 -20.57 57.94 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.977 -1.01 . . . . 2.5099999999999998 110.166 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.565 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 81.9 m-70 -72.73 -43.05 63.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.823 -0.436 . . . . 2.1600000000000001 109.823 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.843 HD13 ' HB1' ' A' ' 81' ' ' ALA . 83.1 mt -68.36 -60.81 2.18 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.34000000000000002 110.868 177.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.21 -22.55 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.94 -0.573 . . . . 2.4100000000000001 110.536 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.618 ' O ' HG13 ' B' ' 14' ' ' ILE . . . -71.68 -38.41 61.22 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.44 112.224 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' ' 7' ' ' HIS . 72.0 mt -66.79 -38.68 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.04 -0.726 . . . . 1.1599999999999999 109.04 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.95 -33.54 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.976 -1.011 . . . . 0.56999999999999995 110.182 172.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -71.29 -34.79 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 1.4199999999999999 110.97 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 10' ' ' GLY . 23.1 mt -68.15 -38.7 80.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 109.574 -0.528 . . . . 2.0600000000000001 109.574 177.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.534 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 8.1 t80 -59.09 -47.81 83.91 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.654 -0.869 . . . . 2.5800000000000001 108.654 171.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -58.92 -23.86 61.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.852 -1.067 . . . . 2.23 110.884 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -70.39 -60.54 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 2.77 110.599 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' B' ' 15' ' ' PHE . 29.9 p90 -73.33 -4.58 34.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 119.896 -0.722 . . . . 6.25 111.219 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 24.9 t -85.46 13.73 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.447 0.641 . . . . 3.02 109.621 172.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 t 60.41 33.84 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.326 -0.852 . . . . 4.1200000000000001 110.698 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 57.22 34.05 24.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.768 -1.105 . . . . 7.2800000000000002 113.232 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -156.85 -67.0 0.1 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.735 -0.386 . . . . 8.7100000000000009 111.195 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.91 -123.45 0.86 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.188 -1.006 . . . . 5.6799999999999997 112.517 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 42.4 m80 60.55 38.69 18.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.191 0.52 . . . . 8.2699999999999996 110.315 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.523 ' HA ' HD13 ' B' ' 28' ' ' LEU . 8.5 p90 -82.06 56.94 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.503 0.668 . . . . 7.5 110.832 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -107.21 -44.88 4.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.668 -0.696 . . . . 5.6200000000000001 110.699 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -87.52 -80.64 0.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.431 -0.35 . . . . 3.9500000000000002 110.157 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' B' ' 25' ' ' PHE . 10.1 mp 45.36 57.8 4.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.455 0.645 . . . . 2.9100000000000001 111.455 177.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -81.12 -170.72 2.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.563 -0.744 . . . . 1.3500000000000001 111.475 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.542 ' HD2' ' CE ' ' B' ' 51' ' ' LYS . 16.6 ttmt -53.83 -31.93 51.05 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 111.854 0.316 . . . . 1.3200000000000001 111.854 -172.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.555 ' O ' ' HG3' ' B' ' 34' ' ' LYS . . . -58.06 -44.61 94.59 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 121.116 -0.564 . . . . 0.40000000000000002 113.283 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -67.96 -44.09 77.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.371 0.605 . . . . 2.4300000000000002 110.156 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.9 tp -64.41 -43.1 95.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.117 -0.947 . . . . 0.52000000000000002 110.059 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' B' ' 31' ' ' GLY . 1.6 pptp? -64.68 -31.03 72.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.068 -0.514 . . . . 1.8700000000000001 110.329 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.703 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 39.1 mt-30 -61.74 -63.65 1.19 Allowed 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.579 -0.526 . . . . 2.4500000000000002 109.579 172.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.412 ' CD1' HG22 ' B' ' 14' ' ' ILE . 9.8 tt -48.92 -48.13 42.92 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 123.942 0.776 . . . . 0.45000000000000001 110.735 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 96.0 mt -63.79 -53.3 53.0 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.113 0.783 . . . . 0.45000000000000001 113.113 -174.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.516 HG22 ' HA ' ' B' ' 49' ' ' LYS . 36.7 p -66.12 -32.91 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.933 0.345 . . . . 1.23 111.933 -173.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.703 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.9 ptmm? -96.41 -35.13 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.789 0.663 . . . . 1.6200000000000001 112.789 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.636 ' O ' ' HB3' ' A' ' 3' ' ' LYS . 10.2 mm-40 -95.81 -43.68 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.178 0.513 . . . . 1.6699999999999999 110.92 -171.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 8' ' ' LEU . 13.6 mt -105.3 26.77 8.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.256 0.551 . . . . 1.4199999999999999 109.695 -174.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -48.76 -39.52 25.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 114.621 -1.172 . . . . 0.78000000000000003 113.308 -175.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -114.42 18.76 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.501 -0.48 . . . . 2.1600000000000001 111.45 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.46 HG21 ' CD1' ' A' ' 8' ' ' LEU . 1.6 m -103.3 -54.32 2.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.48 0.657 . . . . 0.66000000000000003 110.144 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.501 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 54.0 mt -92.06 144.04 10.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.088 -0.96 . . . . 0.59999999999999998 109.788 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -60.95 123.89 18.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.193 -0.299 . . . . 1.6100000000000001 110.193 -176.166 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.492 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 4.5 m-20 42.79 45.11 4.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.515 -0.766 . . . . 1.48 111.93 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' B' ' 42' ' ' ALA . 8.1 tp -60.57 -5.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.824 0.821 . . . . 0.56000000000000005 111.265 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.516 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.1 OUTLIER -83.07 -16.79 45.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.224 -0.898 . . . . 1.1100000000000001 109.992 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.43 ' O ' HG13 ' B' ' 54' ' ' ILE . 7.2 m-20 -84.78 128.42 34.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.312 -0.858 . . . . 1.5900000000000001 111.383 -178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.542 ' CE ' ' HD2' ' B' ' 30' ' ' LYS . 23.0 tptm -63.47 -25.73 68.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.107 -0.951 . . . . 0.92000000000000004 110.144 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -70.48 -37.57 74.25 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.488 0.661 . . . . 0.67000000000000004 109.293 175.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.445 HG22 ' HE3' ' B' ' 46' ' ' LYS . 25.7 t -71.53 -43.22 72.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 114.87 -1.059 . . . . 0.59999999999999998 109.163 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 50' ' ' ASP . 54.1 mt -64.63 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.639 -1.164 . . . . 0.41999999999999998 111.302 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 13.7 t70 -63.92 -51.71 63.22 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.709 -0.848 . . . . 1.53 108.709 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 19.5 mm-40 -49.19 -43.93 42.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.622 -1.172 . . . . 1.77 111.387 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 73.1 mt -70.98 -57.78 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.458 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 80.1 t80 -52.77 -47.16 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.939 -0.573 . . . . 1.6699999999999999 110.89 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 15.4 mm100 -66.91 -26.79 67.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.468 -0.787 . . . . 1.9099999999999999 110.48 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.34 -32.77 54.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 0.53000000000000003 112.643 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.8 OUTLIER -82.22 -40.59 21.44 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.242 -0.651 . . . . 0.58999999999999997 109.242 -179.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -75.99 73.07 2.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.11 -0.95 . . . . 1.3999999999999999 110.716 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.97 -16.32 62.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.088 -0.96 . . . . 1.3100000000000001 109.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.64 -20.53 56.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.14 -0.937 . . . . 2.7999999999999998 110.143 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 60.9 35.45 19.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 114.978 -1.01 . . . . 2.7200000000000002 110.788 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -119.56 8.5 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 2.1400000000000001 111.43 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.407 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 40.9 tt0 64.91 49.22 2.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 2.0099999999999998 110.419 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -144.53 119.76 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 2.1600000000000001 111.884 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.59 107.5 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.084 -0.507 . . . . 1.8100000000000001 110.672 170.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.512 ' H ' ' CG ' ' B' ' 73' ' ' GLU . 6.1 t70 -94.8 -173.51 3.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.171 -1.048 . . . . 2.02 108.171 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -61.74 -42.5 99.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.203 0.456 . . . . 2.1800000000000002 111.659 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.436 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 0.9 OUTLIER -70.74 -40.88 72.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.405 0.621 . . . . 1.6699999999999999 110.332 -178.094 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.6 mm-40 -61.05 -39.47 89.97 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.408 -0.96 . . . . 1.99 108.408 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.555 ' O ' HG23 ' B' ' 78' ' ' VAL . 63.1 t80 -67.87 -28.65 67.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.372 -0.831 . . . . 1.9199999999999999 110.501 176.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 83' ' ' LYS . 0.8 OUTLIER -65.62 -37.61 80.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 0.67000000000000004 109.174 176.049 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.55 ' O ' HD13 ' B' ' 80' ' ' ILE . 20.2 m -62.47 -40.17 95.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.345 -0.843 . . . . 0.73999999999999999 109.184 174.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.551 HD23 HG21 ' B' ' 57' ' ' ILE . 1.9 tm? -58.99 -43.29 91.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 1.1399999999999999 110.148 177.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.3 t -66.21 -31.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.002 -0.37 . . . . 0.33000000000000002 110.002 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.87 -50.27 74.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.288 0.566 . . . . 0.42999999999999999 109.791 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.55 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -57.72 -41.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.237 -0.892 . . . . 0.40000000000000002 110.418 175.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.86 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -72.23 -42.48 65.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.275 -0.875 . . . . 0.28000000000000003 112.421 -174.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 83.6 mt -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.236 0.541 . . . . 0.33000000000000002 109.852 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -56.2 -56.26 23.08 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.291 -0.868 . . . . 1.6699999999999999 109.628 172.21 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -63.24 -20.95 65.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.317 0.488 . . . . 0.47999999999999998 112.317 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' B' ' 88' ' ' HIS . . . -69.8 -60.36 2.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.727 0.269 . . . . 0.56999999999999995 111.727 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' B' ' 88' ' ' HIS . 42.4 t-80 -86.59 -38.85 16.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.23 0.538 . . . . 2.6800000000000002 110.95 -178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.485 ' C ' ' H ' ' B' ' 89' ' ' THR . 15.2 t80 -84.55 23.6 1.11 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.809 0.844 . . . . 1.8 109.076 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' B' ' 85' ' ' ALA . 48.0 t60 -50.07 19.01 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.274 1.83 . . . . 3.27 115.259 -175.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.485 ' H ' ' C ' ' B' ' 87' ' ' TYR . 2.0 t -66.26 -34.9 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.084 -1.08 . . . . 1.27 108.084 173.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 168.08 -29.85 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 114.465 -1.243 . . . . 3.4700000000000002 109.403 174.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.508 ' HE2' HG23 ' B' ' 80' ' ' ILE . 9.8 ttpp 71.63 -52.74 0.69 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.986 0.914 . . . . 3.4700000000000002 109.558 -174.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 . . . . . 0 C--O 1.244 0.8 0 CA-C-N 115.068 -0.969 . . . . 7.0800000000000001 109.988 -177.897 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.853 0.358 . . . . 6.4199999999999999 110.69 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -156.25 51.52 0.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.872 0.844 . . . . 4.25 109.902 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -114.09 20.21 15.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.523 -0.762 . . . . 6.0499999999999998 110.299 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.616 ' H ' HD12 ' A' ' 4' ' ' LEU . 8.0 mp -31.01 115.62 0.14 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.207 -1.361 . . . . 4.5 113.406 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.514 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 12.9 pt-20 49.47 14.07 0.1 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.369 1.468 . . . . 3.1000000000000001 114.726 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -34.68 78.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.545 0.688 . . . . 2.5099999999999998 109.747 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.499 ' CE1' ' HA3' ' B' ' 10' ' ' GLY . 26.9 m-70 -82.83 -39.67 21.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.595 -0.73 . . . . 2.1600000000000001 111.577 -176.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.785 HD13 ' HB1' ' B' ' 81' ' ' ALA . 79.0 mt -63.15 -61.01 2.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.373 0.606 . . . . 0.34000000000000002 110.543 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.78 -25.53 65.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.169 -0.923 . . . . 2.4100000000000001 109.896 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' B' ' 7' ' ' HIS . . . -70.46 -42.17 65.0 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.571 -0.74 . . . . 0.44 112.708 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 7' ' ' HIS . 62.9 mt -64.45 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 117.573 0.686 . . . . 1.1599999999999999 109.253 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.85 -37.14 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.062 -0.972 . . . . 0.56999999999999995 110.408 174.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.3 t30 -69.36 -41.73 76.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 1.4199999999999999 110.657 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.95 -43.38 92.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.378 -0.374 . . . . 2.0600000000000001 110.248 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.94 99.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.64 -0.504 . . . . 2.5699999999999998 109.64 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 19' ' ' SER . 22.2 m170 -58.17 -37.85 75.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.753 0.311 . . . . 2.23 111.021 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 16.0 mm100 -57.41 -52.21 66.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 2.77 111.278 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 95.7 m-85 -87.86 -23.88 23.85 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.4 0.519 . . . . 6.25 112.4 -178.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.49 ' O ' ' HA ' ' A' ' 16' ' ' HIS . 48.9 m -135.49 121.27 19.68 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.517 0.191 . . . . 3.0099999999999998 111.517 -178.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m 40.68 79.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 113.993 1.108 . . . . 4.1299999999999999 113.993 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -80.22 -18.36 49.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.048 0.451 . . . . 7.2800000000000002 110.018 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -152.38 -52.4 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 8.6999999999999993 110.181 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.8 117.04 0.75 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.643 -0.789 . . . . 5.6699999999999999 112.418 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -162.06 75.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.382 -0.599 . . . . 8.2699999999999996 109.382 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 69.55 -79.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.306 -0.861 . . . . 7.5 110.566 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -176.85 -71.85 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.261 -0.644 . . . . 5.6200000000000001 109.261 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.758 HG21 ' HA ' ' A' ' 70' ' ' ASP . 4.1 p -153.32 126.17 8.34 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.184 -1.043 . . . . 3.9399999999999999 108.184 176.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' HB3' ' H ' ' A' ' 29' ' ' SER . 68.5 mt -102.71 -166.89 1.33 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.289 0.566 . . . . 2.9100000000000001 112.269 -171.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.403 ' H ' ' HB3' ' A' ' 28' ' ' LEU . 15.7 m -84.24 -170.52 3.13 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.287 0.847 . . . . 1.3500000000000001 113.287 -168.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.532 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 8.6 ttpp -56.23 -20.02 16.43 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.092 -0.958 . . . . 1.3200000000000001 113.26 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 34' ' ' LYS . . . -54.42 -55.36 27.21 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.36 -0.448 . . . . 0.40000000000000002 114.024 -176.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 32' ' ' GLU . 4.2 pt-20 -74.08 -29.61 61.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.798 0.332 . . . . 2.4399999999999999 111.509 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.7 tp -60.14 -52.79 63.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.962 -0.755 . . . . 0.52000000000000002 108.962 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 29.0 ttmt -48.42 -48.37 37.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.591 -1.186 . . . . 1.8700000000000001 110.954 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 45.8 mt-30 -55.74 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 2.46 110.667 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.4 tt -49.64 -47.31 49.94 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.301 0.572 . . . . 0.45000000000000001 110.556 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -63.85 -52.42 60.16 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.885 -0.598 . . . . 0.45000000000000001 112.381 -175.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.5 p -64.34 -35.41 80.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.431 -0.35 . . . . 1.23 111.75 -174.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 15.8 ptmt -97.4 -26.67 14.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.385 0.883 . . . . 1.6100000000000001 113.385 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 63.3 mm-40 -99.04 -41.83 7.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.18 0.514 . . . . 1.6699999999999999 111.079 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.513 HD22 HD11 ' B' ' 8' ' ' LEU . 15.6 mt -107.97 24.59 12.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.291 0.567 . . . . 1.4199999999999999 109.928 -174.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -46.29 -39.98 10.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.255 -1.339 . . . . 0.78000000000000003 113.831 -176.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -117.83 28.6 8.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.276 0.56 . . . . 2.1600000000000001 110.773 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 2.6 m -112.52 -60.69 1.83 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.46 0.647 . . . . 0.66000000000000003 110.146 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.488 HG21 HD11 ' A' ' 57' ' ' ILE . 49.3 mt -86.3 138.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.032 -0.986 . . . . 0.59999999999999998 109.54 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -54.96 123.06 12.29 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.657 0.265 . . . . 1.6100000000000001 110.656 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.515 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 13.2 m120 44.94 44.9 8.38 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.236 -0.893 . . . . 1.48 111.745 177.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 7.8 tp -61.16 -10.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 0.55000000000000004 110.875 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.7 mmmm -84.3 -10.87 57.27 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.27 -0.877 . . . . 1.1100000000000001 110.215 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.9 m-20 -91.92 129.44 37.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.541 -0.754 . . . . 1.5800000000000001 111.25 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.75 -31.21 71.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.553 -1.203 . . . . 0.92000000000000004 111.132 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.08 78.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.169 -0.678 . . . . 0.67000000000000004 109.169 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 57' ' ' ILE . 26.7 t -72.34 -47.32 53.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.708 -1.133 . . . . 0.59999999999999998 109.682 178.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 50' ' ' ASP . 38.8 mt -60.49 -37.92 76.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.375 -0.829 . . . . 0.41999999999999998 111.501 177.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.83 -54.87 36.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.323 -0.621 . . . . 1.53 109.323 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -46.49 -44.23 17.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.137 -0.938 . . . . 1.77 111.389 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.652 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 66.6 mt -70.59 -60.12 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.608 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CG ' ' HB2' ' A' ' 30' ' ' LYS . 83.4 t80 -55.47 -46.43 76.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.904 0.383 . . . . 1.6799999999999999 110.955 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.428 ' OE1' ' HA ' ' A' ' 59' ' ' GLN . 13.7 mm-40 -64.32 -25.11 67.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 1.9199999999999999 110.504 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.78 -29.72 46.48 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.827 -0.701 . . . . 0.53000000000000003 112.777 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 2.9 mt -84.95 -39.65 17.89 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.115 0.458 . . . . 0.57999999999999996 110.033 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.43 67.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.403 -0.817 . . . . 1.3999999999999999 110.552 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.23 -19.58 46.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.344 -0.844 . . . . 1.3 109.697 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -72.34 -20.07 61.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.374 -0.83 . . . . 2.7999999999999998 109.845 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 62.8 36.81 12.85 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.761 -1.109 . . . . 2.7200000000000002 112.664 172.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.19 9.84 11.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.719 0.295 . . . . 2.1299999999999999 110.979 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 63.97 51.62 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.759 . . . . 2.02 109.894 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -149.26 118.32 6.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.603 -0.726 . . . . 2.1600000000000001 110.582 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 p -80.9 107.45 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.656 0.741 . . . . 1.8100000000000001 110.367 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.758 ' HA ' HG21 ' A' ' 27' ' ' THR . 24.1 t70 -85.69 174.97 9.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.592 -0.731 . . . . 2.02 109.163 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -59.03 -34.54 72.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.308 0.504 . . . . 2.1699999999999999 109.965 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 21.2 tt0 -68.34 -43.06 78.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 1.6599999999999999 111.029 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 2.5 mm-40 -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.803 0.811 . . . . 1.99 109.333 178.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 78' ' ' VAL . 69.9 t80 -74.52 -20.61 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.575 . . . . 1.9199999999999999 109.795 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -68.43 -40.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.625 -0.716 . . . . 0.67000000000000004 109.674 177.645 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.586 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.6 p -70.4 -29.28 65.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.985 -0.552 . . . . 0.73999999999999999 109.765 173.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' A' ' 61' ' ' LEU . 2.5 tm? -59.23 -46.81 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.789 -0.449 . . . . 1.1499999999999999 109.789 173.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.7 t -64.09 -29.65 47.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.33000000000000002 109.623 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.6 -51.48 68.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.187 0.518 . . . . 0.42999999999999999 109.997 174.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -55.24 -41.37 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.299 -0.864 . . . . 0.40000000000000002 110.41 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.68 -33.44 58.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.436 -0.802 . . . . 0.28000000000000003 112.588 -174.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 93.7 mt -73.76 -35.2 64.97 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 0.33000000000000002 109.856 176.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.2 OUTLIER -62.63 -49.74 73.97 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.462 -0.79 . . . . 1.6699999999999999 109.253 170.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 45' ' ' ILE . . . -62.56 -22.21 66.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.563 . . . . 0.47999999999999998 112.135 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.03 -58.64 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.672 0.249 . . . . 0.56999999999999995 111.672 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.59 -42.08 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.472 0.653 . . . . 2.6800000000000002 110.661 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' THR . 8.2 t80 -90.19 23.87 2.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.107 -0.951 . . . . 1.8 109.385 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -46.32 19.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.721 2.119 . . . . 3.2599999999999998 116.721 -175.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' TYR . 2.5 t -71.89 -45.33 61.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.57 -0.9 . . . . 1.26 108.57 173.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.435 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 90.3 m-70 -167.33 -38.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.641 0.777 . . . . 3.4700000000000002 109.796 176.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 0.4 OUTLIER 72.6 -52.59 0.7 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.743 -1.117 . . . . 3.4700000000000002 109.045 -168.112 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' N ' ' HZ3' ' A' ' 91' ' ' LYS . 10.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 114.611 -1.177 . . . . 7.0899999999999999 108.661 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.768 0.318 . . . . 6.4199999999999999 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.4 t -155.63 51.49 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.97 0.891 . . . . 4.2599999999999998 110.088 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -113.87 20.21 15.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.351 -0.84 . . . . 6.04 110.264 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.61 ' H ' HD12 ' B' ' 4' ' ' LEU . 8.0 mp -31.07 115.72 0.14 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.299 -1.319 . . . . 4.5 113.443 -178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.497 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 12.8 pt-20 49.5 13.98 0.09 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.33 1.452 . . . . 3.1000000000000001 114.626 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.448 0.642 . . . . 2.5099999999999998 109.753 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.507 ' CE1' ' HA3' ' A' ' 10' ' ' GLY . 27.0 m-70 -82.84 -39.93 21.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.535 -0.757 . . . . 2.1600000000000001 111.607 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.784 HD13 ' HB1' ' A' ' 81' ' ' ALA . 78.9 mt -63.01 -60.97 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.246 0.546 . . . . 0.34000000000000002 110.485 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.82 -25.31 65.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.229 -0.896 . . . . 2.4100000000000001 109.852 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.499 ' HA3' ' CE1' ' A' ' 7' ' ' HIS . . . -70.67 -42.21 62.94 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.604 -0.726 . . . . 0.44 112.676 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' ' 7' ' ' HIS . 62.9 mt -64.47 -40.25 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 117.593 0.697 . . . . 1.1599999999999999 109.338 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.76 -37.22 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.121 -0.945 . . . . 0.56999999999999995 110.389 174.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.472 ' O ' ' HG2' ' B' ' 17' ' ' GLN . 8.9 t30 -69.41 -41.91 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 1.4199999999999999 110.657 176.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.62 -43.5 91.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.292 -0.413 . . . . 2.0600000000000001 110.269 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.05 -40.83 98.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.591 -0.522 . . . . 2.5800000000000001 109.591 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.491 ' HA ' ' O ' ' B' ' 19' ' ' SER . 22.0 m170 -58.41 -37.69 75.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.705 0.288 . . . . 2.23 110.963 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 13' ' ' ASN . 16.0 mm100 -57.52 -51.98 67.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 2.77 111.335 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.513 ' CE1' ' HD3' ' B' ' 39' ' ' LYS . 95.7 m-85 -88.06 -23.99 23.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.244 0.461 . . . . 6.25 112.244 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' B' ' 16' ' ' HIS . 48.9 m -135.28 121.06 19.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.503 0.192 . . . . 3.02 111.481 -178.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m 40.78 79.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.99 1.107 . . . . 4.1200000000000001 113.99 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -80.09 -18.22 50.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.954 0.407 . . . . 7.2800000000000002 110.067 175.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -152.57 -52.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.809 -0.632 . . . . 8.7100000000000009 110.347 176.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.98 116.94 0.74 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.546 -0.835 . . . . 5.6799999999999997 112.403 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -161.89 75.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.356 -0.609 . . . . 8.2699999999999996 109.356 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 70.12 -80.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.469 -0.787 . . . . 7.5 110.422 -175.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -176.74 -72.21 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.25 -0.648 . . . . 5.6200000000000001 109.25 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.744 HG21 ' HA ' ' B' ' 70' ' ' ASP . 4.2 p -153.02 125.76 8.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.243 -1.021 . . . . 3.9500000000000002 108.243 176.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.421 ' HB2' ' CD ' ' B' ' 32' ' ' GLU . 66.9 mt -102.19 -166.77 1.32 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.27 0.557 . . . . 2.9100000000000001 112.25 -171.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -84.47 -170.54 3.16 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.167 0.802 . . . . 1.3500000000000001 113.167 -168.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.535 ' HB2' ' CD2' ' B' ' 58' ' ' PHE . 8.8 ttpp -56.03 -20.4 16.66 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.008 -0.996 . . . . 1.3200000000000001 113.213 -177.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' B' ' 34' ' ' LYS . . . -54.13 -55.26 27.1 Favored Glycine 0 N--CA 1.463 0.434 0 C-N-CA 121.403 -0.427 . . . . 0.40000000000000002 114.101 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' B' ' 28' ' ' LEU . 4.2 pt-20 -74.3 -29.46 61.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.853 0.359 . . . . 2.4300000000000002 111.534 -175.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 37.1 tp -60.33 -52.73 64.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.993 -0.743 . . . . 0.52000000000000002 108.993 172.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' B' ' 31' ' ' GLY . 28.8 ttmt -48.51 -48.25 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.506 -1.224 . . . . 1.8700000000000001 110.922 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.604 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 46.3 mt-30 -55.71 -62.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.4500000000000002 110.716 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.4 tt -49.57 -47.47 49.23 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.302 0.573 . . . . 0.45000000000000001 110.512 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.0 mt -63.71 -52.36 60.9 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.762 -0.654 . . . . 0.45000000000000001 112.378 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.492 HG22 ' HA ' ' B' ' 49' ' ' LYS . 24.5 p -64.4 -35.49 81.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.437 -0.347 . . . . 1.23 111.729 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 15.7 ptmt -97.28 -26.89 14.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.38 0.881 . . . . 1.6200000000000001 113.38 -175.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 64.2 mm-40 -98.98 -41.71 7.45 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.148 0.499 . . . . 1.6699999999999999 111.105 -176.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.511 HD22 HD11 ' A' ' 8' ' ' LEU . 15.5 mt -107.92 24.57 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.393 0.616 . . . . 1.4199999999999999 109.963 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.404 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -46.33 -40.0 11.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.257 -1.338 . . . . 0.78000000000000003 113.773 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -117.8 28.9 8.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.187 0.518 . . . . 2.1600000000000001 110.795 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.514 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 2.6 m -112.73 -60.33 1.89 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.459 0.647 . . . . 0.66000000000000003 110.324 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 48.9 mt -86.76 138.37 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.943 -1.026 . . . . 0.59999999999999998 109.577 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.501 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 0.0 OUTLIER -54.69 122.86 11.57 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 120.661 0.267 . . . . 1.6100000000000001 110.695 -177.261 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.501 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 13.3 m120 45.22 44.91 9.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.021 -0.99 . . . . 1.48 111.835 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 7.8 tp -61.31 -10.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.816 0.817 . . . . 0.56000000000000005 110.875 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.492 ' HA ' HG22 ' B' ' 38' ' ' THR . 13.7 mmmm -84.7 -10.45 57.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.273 -0.876 . . . . 1.1100000000000001 110.28 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.0 129.37 37.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.416 -0.811 . . . . 1.5900000000000001 111.358 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.66 -31.18 71.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.595 -1.184 . . . . 0.92000000000000004 111.157 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.82 77.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.264 -0.643 . . . . 0.67000000000000004 109.264 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.47 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.6 t -72.55 -47.39 51.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.711 -1.131 . . . . 0.59999999999999998 109.643 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.27 -38.07 76.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.339 -0.846 . . . . 0.41999999999999998 111.563 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.69 -54.72 38.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 109.426 -0.583 . . . . 1.53 109.426 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -46.58 -44.27 17.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.142 -0.935 . . . . 1.77 111.341 176.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.654 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 67.1 mt -70.62 -60.18 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.57 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' B' ' 30' ' ' LYS . 84.0 t80 -55.52 -46.43 77.04 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.824 0.345 . . . . 1.6699999999999999 110.917 -177.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' B' ' 59' ' ' GLN . 13.7 mm-40 -64.35 -25.05 67.86 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.688 -0.687 . . . . 1.9099999999999999 110.341 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.24 -29.27 46.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.792 -0.718 . . . . 0.53000000000000003 112.799 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 3.0 mt -84.86 -39.87 17.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 117.102 0.451 . . . . 0.58999999999999997 110.1 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.42 67.78 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.304 -0.862 . . . . 1.3999999999999999 110.569 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.16 -19.34 47.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 1.3100000000000001 109.749 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.61 -19.73 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.268 -0.878 . . . . 2.7999999999999998 109.963 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 62.26 37.26 14.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.683 -1.144 . . . . 2.7200000000000002 112.48 171.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -120.53 9.77 10.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.73 0.3 . . . . 2.1400000000000001 110.991 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 64.03 51.71 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 2.0099999999999998 109.951 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.2 118.3 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 2.1600000000000001 110.619 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.8 p -80.75 107.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.661 0.743 . . . . 1.8100000000000001 110.358 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.744 ' HA ' HG21 ' B' ' 27' ' ' THR . 22.3 t70 -85.8 175.06 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.029 -0.73 . . . . 2.02 109.029 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.285 0.493 . . . . 2.1800000000000002 110.058 176.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 21.5 tt0 -68.33 -43.1 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 1.6699999999999999 111.023 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 2.4 mm-40 -70.2 -31.05 68.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.727 0.775 . . . . 1.99 109.487 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.625 ' O ' HG23 ' B' ' 78' ' ' VAL . 69.8 t80 -74.43 -20.76 59.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 1.9199999999999999 109.707 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -68.08 -40.61 83.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.616 -0.72 . . . . 0.67000000000000004 109.734 177.448 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.588 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.6 p -70.45 -29.19 65.69 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.005 -0.543 . . . . 0.73999999999999999 109.628 173.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.589 ' HB2' HD13 ' B' ' 61' ' ' LEU . 2.5 tm? -59.32 -46.76 87.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.769 -0.456 . . . . 1.1399999999999999 109.769 173.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.8 t -64.06 -29.78 48.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.59 -0.522 . . . . 0.33000000000000002 109.59 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.59 -51.12 69.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.204 0.526 . . . . 0.42999999999999999 109.962 174.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.588 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -55.74 -41.2 64.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.315 -0.857 . . . . 0.40000000000000002 110.323 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.785 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.78 -33.47 58.05 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.434 -0.803 . . . . 0.28000000000000003 112.57 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 93.7 mt -73.72 -35.07 65.05 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.344 0.592 . . . . 0.33000000000000002 109.943 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.461 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -62.61 -49.61 74.54 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.558 -0.746 . . . . 1.6699999999999999 109.211 170.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' B' ' 45' ' ' ILE . . . -62.84 -22.05 66.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.032 -0.531 . . . . 0.47999999999999998 112.065 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.14 -58.22 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.779 0.288 . . . . 0.56999999999999995 111.779 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -81.91 -42.28 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.456 0.645 . . . . 2.6800000000000002 110.626 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' B' ' 89' ' ' THR . 8.4 t80 -90.11 23.73 2.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.087 -0.96 . . . . 1.8 109.303 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -46.29 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.725 2.12 . . . . 3.27 116.725 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.485 ' N ' ' O ' ' B' ' 87' ' ' TYR . 2.5 t -71.76 -45.55 61.32 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.559 -0.904 . . . . 1.27 108.559 173.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.43 ' O ' ' HB3' ' B' ' 91' ' ' LYS . 90.7 m-70 -167.19 -37.91 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.637 0.775 . . . . 3.4700000000000002 109.852 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.463 ' HB3' ' NZ ' ' B' ' 91' ' ' LYS . 0.4 OUTLIER 72.21 -52.27 0.7 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.835 -1.075 . . . . 3.4700000000000002 109.06 -168.196 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.406 ' N ' ' HZ3' ' B' ' 91' ' ' LYS . 10.6 tp10 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 114.678 -1.146 . . . . 7.0800000000000001 108.71 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' SD ' HD22 ' A' ' 4' ' ' LEU . 25.6 mmt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.856 0.36 . . . . 6.4199999999999999 110.752 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -83.89 -53.24 5.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 4.25 110.598 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.644 ' HA ' ' CD2' ' A' ' 7' ' ' HIS . 9.3 ptpp? -95.05 15.39 19.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 6.0499999999999998 110.657 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 61.8 tp -49.64 101.0 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 124.057 0.848 . . . . 4.5 111.89 -175.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 9.8 pt-20 59.01 -38.06 0.06 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.031 1.732 . . . . 3.1000000000000001 114.404 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.54 -42.48 64.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 2.5099999999999998 111.15 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.644 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 16.6 m-70 -75.56 -55.22 5.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.436 -0.347 . . . . 2.1600000000000001 110.51 -176.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.908 HD13 ' HB1' ' B' ' 81' ' ' ALA . 57.0 mt -62.19 -60.32 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.215 0.531 . . . . 0.34000000000000002 111.559 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.34 -26.8 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.68 -0.691 . . . . 2.4100000000000001 109.932 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.44 -38.27 90.81 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.915 -0.659 . . . . 0.44 112.577 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.9 mt -66.43 -42.31 90.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.243 -0.651 . . . . 1.1599999999999999 109.243 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.544 ' O ' ' HB3' ' A' ' 15' ' ' PHE . 71.1 t -64.71 -33.13 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 114.594 -1.184 . . . . 0.56999999999999995 111.323 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -64.93 -43.27 93.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 1.4199999999999999 111.393 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 mm -72.12 -23.86 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.116 0.484 . . . . 2.0600000000000001 110.258 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.544 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 61.9 t80 -59.34 -42.81 92.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.297 -0.631 . . . . 2.5699999999999998 109.297 171.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.23 -0.895 . . . . 2.23 110.657 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -68.76 -57.91 4.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 2.77 112.243 -176.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.654 ' CD1' ' HB3' ' A' ' 32' ' ' GLU . 25.5 p90 -65.6 -26.8 68.0 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.351 -0.54 . . . . 6.25 111.58 -174.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 m -126.2 81.2 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.024 0.44 . . . . 3.0099999999999998 110.618 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 m -67.61 142.47 16.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 4.1299999999999999 110.269 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -89.13 -7.89 54.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.282 0.563 . . . . 7.2800000000000002 110.071 -175.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.63 -36.02 82.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.616 -0.72 . . . . 8.6999999999999993 109.529 173.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.66 84.54 0.43 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.465 -1.054 . . . . 5.6699999999999999 110.465 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -51.87 129.33 26.43 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.255 0.55 . . . . 8.2699999999999996 111.977 -174.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -169.14 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.033 -1.099 . . . . 7.5 108.033 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 47.55 52.6 12.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.604 -1.18 . . . . 5.6200000000000001 112.327 168.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 m -119.85 86.71 2.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.37 0.605 . . . . 3.9399999999999999 109.702 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -83.06 61.86 6.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.357 -0.838 . . . . 2.9100000000000001 110.59 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.7 p -85.75 -172.73 4.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.417 -0.356 . . . . 1.3500000000000001 111.402 -176.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -65.59 -27.21 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.058 -0.257 . . . . 1.3200000000000001 111.328 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 -41.85 99.64 Favored Glycine 0 CA--C 1.513 -0.089 0 C-N-CA 120.558 -0.829 . . . . 0.40000000000000002 112.099 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.654 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 10.4 mm-40 -69.36 -42.2 75.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.289 0.566 . . . . 2.4399999999999999 110.427 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.668 HD11 ' HG ' ' A' ' 77' ' ' LEU . 23.3 tp -62.39 -51.55 67.14 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.152 -0.931 . . . . 0.52000000000000002 109.639 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -53.44 -46.04 69.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 1.8700000000000001 111.089 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -53.25 -58.77 5.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.256 -0.429 . . . . 2.46 110.042 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 9.5 tt -54.38 -51.63 64.23 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.936 0.398 . . . . 0.45000000000000001 110.599 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD21 HD21 ' A' ' 77' ' ' LEU . 97.0 mt -58.85 -49.67 76.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.757 0.651 . . . . 0.45000000000000001 112.757 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.511 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 28.7 p -66.39 -31.55 72.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.003 0.371 . . . . 1.23 112.003 -174.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -96.62 -22.56 16.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.721 0.638 . . . . 1.6100000000000001 112.721 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 24.6 mm-40 -103.36 -46.48 4.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.964 0.411 . . . . 1.6699999999999999 111.826 -174.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.699 HD22 HD11 ' B' ' 8' ' ' LEU . 15.8 mt -107.14 22.2 16.36 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.071 -0.513 . . . . 1.4199999999999999 109.765 -174.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -48.13 -34.32 9.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.767 -1.106 . . . . 0.78000000000000003 113.036 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -122.38 35.75 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.447 0.641 . . . . 2.1600000000000001 110.771 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.527 HG21 HD12 ' B' ' 8' ' ' LEU . 16.9 m -119.73 -62.81 1.45 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.304 0.573 . . . . 0.66000000000000003 109.941 174.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 57.0 mt -84.71 133.29 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.267 -0.879 . . . . 0.59999999999999998 109.753 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HB3' ' N ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -53.23 127.0 22.89 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 123.359 0.412 . . . . 1.6100000000000001 110.909 -178.769 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.41 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 9.3 m120 48.34 39.77 13.11 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.918 0.761 . . . . 1.48 111.406 174.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.0 tp -62.65 -8.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 122.09 0.948 . . . . 0.55000000000000004 110.25 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.6 OUTLIER -84.66 -12.95 52.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.744 -1.116 . . . . 1.1100000000000001 110.214 178.535 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.34 129.41 34.86 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.691 -0.686 . . . . 1.5800000000000001 110.53 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -65.75 -26.41 67.71 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.574 -0.739 . . . . 0.92000000000000004 109.702 178.18 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.33 78.03 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.64 0.733 . . . . 0.67000000000000004 109.393 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.0 t -74.69 -45.2 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.61 -1.177 . . . . 0.59999999999999998 109.397 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.89 -38.55 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.921 -1.036 . . . . 0.41999999999999998 111.438 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 1.1 t70 -66.62 -43.34 85.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.169 -0.678 . . . . 1.53 109.169 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 28.6 mm-40 -50.85 -47.2 60.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 1.77 110.941 174.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 63.2 mt -71.85 -53.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.903 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 88.2 t80 -52.08 -48.57 64.63 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.336 -0.847 . . . . 1.6799999999999999 110.818 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.6 HE21 ' HA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -68.11 -25.9 65.54 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.795 -0.639 . . . . 1.9199999999999999 110.695 -179.411 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.48 73.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.895 -0.669 . . . . 0.53000000000000003 111.736 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -90.08 -39.99 12.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.542 -0.54 . . . . 0.57999999999999996 109.542 179.179 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.41 69.89 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.498 0.666 . . . . 1.3999999999999999 110.007 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.82 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 1.3 110.975 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -86.88 -11.63 50.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.224 0.535 . . . . 2.7999999999999998 110.131 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 60.55 43.04 13.33 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.101 -0.954 . . . . 2.7200000000000002 110.572 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -99.85 -10.7 21.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 2.1299999999999999 109.825 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 34.3 mt-10 65.29 29.59 11.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.763 -1.108 . . . . 2.02 111.696 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -139.58 120.3 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.102 -0.499 . . . . 2.1600000000000001 110.607 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.03 115.28 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.666 -0.697 . . . . 1.8100000000000001 110.828 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.565 ' HB3' ' HG2' ' A' ' 73' ' ' GLU . 20.1 t70 -79.16 166.8 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 2.02 109.086 173.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.462 ' HD1' ' CZ ' ' A' ' 15' ' ' PHE . 1.5 m-85 -56.21 -36.82 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.242 0.544 . . . . 2.1699999999999999 110.286 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 62.0 tt0 -69.32 -40.65 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.374 -0.83 . . . . 1.6599999999999999 110.445 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 70' ' ' ASP . 2.5 mm-40 -73.16 -30.48 63.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.647 -0.706 . . . . 1.99 109.892 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.585 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 80.4 t80 -70.41 -23.09 62.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.527 0.68 . . . . 1.9199999999999999 109.462 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.64 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.7 mt -70.78 -40.34 76.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.425 -0.807 . . . . 0.67000000000000004 109.472 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.717 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.0 p -69.35 -23.49 63.77 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.072 -0.513 . . . . 0.73999999999999999 110.251 173.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.668 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.2 tm? -60.81 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.893 -0.781 . . . . 1.1499999999999999 108.893 172.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.485 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 8.6 t -63.17 -31.4 52.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 CA-C-N 115.613 -0.721 . . . . 0.33000000000000002 109.514 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -59.04 -50.69 73.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 0.42999999999999999 110.714 176.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.717 HD13 ' O ' ' A' ' 76' ' ' SER . 1.4 mp -58.15 -38.77 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.313 -0.858 . . . . 0.40000000000000002 110.311 177.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.912 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -75.39 -37.44 60.51 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.488 -0.778 . . . . 0.28000000000000003 111.716 -176.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.2 mt -64.9 -35.37 80.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.572 0.701 . . . . 0.33000000000000002 109.294 173.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.635 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 13.3 mttp -75.84 -20.76 57.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.292 -0.867 . . . . 1.6699999999999999 111.105 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HA ' ' HB2' ' A' ' 91' ' ' LYS . . . -70.87 -24.94 62.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.27 0.557 . . . . 0.47999999999999998 109.654 173.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -82.83 -57.51 3.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.45 -0.795 . . . . 0.56999999999999995 111.286 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.414 ' C ' ' H ' ' A' ' 88' ' ' HIS . 38.6 t60 -83.41 -57.85 3.07 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 2.6800000000000002 111.783 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.512 ' C ' ' H ' ' A' ' 89' ' ' THR . 21.2 t80 -83.46 22.4 1.05 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 1.8 110.148 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.563 ' HB2' ' HB3' ' A' ' 92' ' ' GLU . 6.2 p-80 -47.12 19.97 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.556 1.942 . . . . 3.2599999999999998 116.186 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.512 ' H ' ' C ' ' A' ' 87' ' ' TYR . 39.5 p -67.99 -44.9 75.57 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.925 -0.485 . . . . 1.26 111.211 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -133.08 15.59 4.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 3.4700000000000002 110.436 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 66.4 mttm -118.35 18.19 13.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.499 -0.773 . . . . 3.4700000000000002 109.211 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 8.2 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.945 -1.025 . . . . 7.0899999999999999 109.084 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.415 ' SD ' HD22 ' B' ' 4' ' ' LEU . 25.5 mmt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.848 0.356 . . . . 6.4199999999999999 110.755 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -83.87 -53.32 5.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.081 0.467 . . . . 4.2599999999999998 110.56 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.646 ' HA ' ' CD2' ' B' ' 7' ' ' HIS . 9.4 ptpp? -95.28 15.47 19.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 6.04 110.655 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' B' ' 5' ' ' GLU . 61.9 tp -49.76 101.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.138 0.899 . . . . 4.5 111.806 -175.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 9.8 pt-20 58.9 -38.47 0.06 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.094 1.757 . . . . 3.1000000000000001 114.515 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.26 -42.48 63.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 2.5099999999999998 111.177 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.646 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 16.7 m-70 -75.63 -55.17 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.415 -0.357 . . . . 2.1600000000000001 110.446 -176.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.912 HD13 ' HB1' ' A' ' 81' ' ' ALA . 56.8 mt -62.35 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 0.34000000000000002 111.526 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -71.32 -26.92 63.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.672 -0.695 . . . . 2.4100000000000001 109.945 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.61 92.1 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.941 -0.647 . . . . 0.44 112.493 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.4 mt -66.24 -42.13 90.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.242 -0.651 . . . . 1.1599999999999999 109.242 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' B' ' 15' ' ' PHE . 70.0 t -64.73 -33.53 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.727 -1.124 . . . . 0.56999999999999995 111.2 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.66 -43.56 93.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.4199999999999999 111.266 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 mm -71.89 -23.83 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.004 0.43 . . . . 2.0600000000000001 110.198 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.558 ' HB3' ' O ' ' B' ' 12' ' ' VAL . 61.7 t80 -59.48 -42.53 92.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.276 -0.639 . . . . 2.5800000000000001 109.276 171.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.41 -21.91 61.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.258 -0.883 . . . . 2.23 110.647 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -68.89 -57.53 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 2.77 112.34 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.656 ' CD1' ' HB3' ' B' ' 32' ' ' GLU . 25.5 p90 -65.73 -27.06 68.04 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.45 -0.5 . . . . 6.25 111.525 -174.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -126.05 81.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.96 0.41 . . . . 3.02 110.52 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.79 142.42 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.96 -0.564 . . . . 4.1200000000000001 110.265 177.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -89.07 -8.13 54.5 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.977 -0.556 . . . . 7.2800000000000002 110.084 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.85 -37.1 86.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.759 -0.655 . . . . 8.7100000000000009 109.494 173.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.78 84.26 0.44 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.475 -1.05 . . . . 5.6799999999999997 110.475 173.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -51.99 129.21 26.56 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.305 0.574 . . . . 8.2699999999999996 112.04 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -169.06 -44.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.168 -1.049 . . . . 7.5 108.168 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 47.56 52.43 12.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 114.63 -1.168 . . . . 5.6200000000000001 112.292 168.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.5 m -119.53 86.86 2.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.251 0.548 . . . . 3.9500000000000002 109.671 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -83.02 61.84 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.317 -0.856 . . . . 2.9100000000000001 110.543 -175.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -85.84 -172.76 4.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.469 -0.332 . . . . 1.3500000000000001 111.466 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.43 -27.29 68.42 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.99 -0.284 . . . . 1.3200000000000001 111.341 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.02 99.67 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.584 -0.817 . . . . 0.40000000000000002 111.942 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.656 ' HB3' ' CD1' ' B' ' 18' ' ' TYR . 10.9 mm-40 -69.34 -42.06 75.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 2.4300000000000002 110.443 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.674 HD11 ' HG ' ' B' ' 77' ' ' LEU . 23.5 tp -62.51 -51.47 67.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.229 -0.896 . . . . 0.52000000000000002 109.635 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.38 -45.93 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.458 -0.792 . . . . 1.8700000000000001 111.112 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.48 -58.72 6.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.181 -0.463 . . . . 2.4500000000000002 110.027 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 9.4 tt -54.33 -51.7 63.87 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 123.289 0.368 . . . . 0.45000000000000001 110.591 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.619 HD21 HD21 ' B' ' 77' ' ' LEU . 97.0 mt -58.83 -49.68 76.83 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.723 0.638 . . . . 0.45000000000000001 112.723 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 29.6 p -66.34 -31.48 72.3 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.073 0.397 . . . . 1.23 112.073 -174.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -96.56 -22.68 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.803 0.668 . . . . 1.6200000000000001 112.803 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 36' ' ' LEU . 25.7 mm-40 -103.41 -46.43 4.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.935 0.398 . . . . 1.6699999999999999 111.8 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.725 HD22 HD11 ' A' ' 8' ' ' LEU . 15.8 mt -107.17 22.14 16.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.1 -0.5 . . . . 1.4199999999999999 109.735 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -48.05 -34.71 9.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.738 -1.119 . . . . 0.78000000000000003 112.902 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -122.06 35.84 4.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.403 0.62 . . . . 2.1600000000000001 110.657 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.5 HG21 HD12 ' A' ' 8' ' ' LEU . 16.7 m -119.81 -62.68 1.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.545 . . . . 0.66000000000000003 109.972 174.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 57.1 mt -84.9 133.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.251 -0.886 . . . . 0.59999999999999998 109.742 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.477 ' HB3' ' N ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -53.15 127.04 22.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.346 0.404 . . . . 1.6100000000000001 110.856 -178.621 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.407 ' HB2' HG21 ' B' ' 53' ' ' VAL . 9.2 m120 48.44 39.64 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.84 0.712 . . . . 1.48 111.418 174.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.0 tp -62.62 -8.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 122.049 0.928 . . . . 0.56000000000000005 110.277 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.434 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.76 -12.61 53.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.709 -1.132 . . . . 1.1100000000000001 110.159 178.616 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.6 128.91 35.02 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 115.643 -0.708 . . . . 1.5900000000000001 110.617 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -65.31 -26.48 68.07 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.44 -0.8 . . . . 0.92000000000000004 109.894 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.74 78.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.507 0.67 . . . . 0.67000000000000004 109.365 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.437 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -74.22 -45.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.5 -1.227 . . . . 0.59999999999999998 109.509 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.05 -38.68 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.885 -1.052 . . . . 0.41999999999999998 111.386 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 1.0 OUTLIER -66.51 -43.25 85.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.055 -0.72 . . . . 1.53 109.055 -178.671 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -51.0 -47.08 61.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.162 -0.926 . . . . 1.77 110.981 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.577 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 63.4 mt -71.93 -53.03 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.872 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 87.9 t80 -52.2 -48.56 65.0 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.357 -0.838 . . . . 1.6699999999999999 110.77 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.613 HE21 ' HA ' ' B' ' 59' ' ' GLN . 0.0 OUTLIER -68.22 -25.82 65.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.682 -0.69 . . . . 1.9099999999999999 110.723 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.69 -31.45 70.52 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.801 -0.714 . . . . 0.53000000000000003 111.833 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -90.57 -39.91 12.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.53 -0.544 . . . . 0.58999999999999997 109.53 178.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -77.62 70.13 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.608 0.718 . . . . 1.3999999999999999 110.011 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.22 -17.3 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.561 -0.745 . . . . 1.3100000000000001 111.003 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -87.4 -11.3 49.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.266 0.555 . . . . 2.7999999999999998 110.163 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.11 43.39 14.3 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.14 -0.936 . . . . 2.7200000000000002 110.571 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.88 -10.95 21.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.504 -0.771 . . . . 2.1400000000000001 109.744 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.474 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 34.2 mt-10 65.06 30.4 11.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.731 -1.122 . . . . 2.0099999999999998 111.637 -177.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.31 120.49 13.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.984 -0.553 . . . . 2.1600000000000001 110.544 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 t -77.54 114.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.614 -0.721 . . . . 1.8100000000000001 110.797 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' B' ' 73' ' ' GLU . 21.3 t70 -78.79 166.8 22.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.302 -0.629 . . . . 2.02 109.302 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.473 ' HD1' ' CZ ' ' B' ' 15' ' ' PHE . 1.6 m-85 -56.31 -37.04 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.327 0.584 . . . . 2.1800000000000002 110.15 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.516 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 61.8 tt0 -69.02 -40.52 78.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.353 -0.839 . . . . 1.6699999999999999 110.663 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' B' ' 70' ' ' ASP . 2.5 mm-40 -73.29 -30.52 63.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.634 -0.712 . . . . 1.99 109.858 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.582 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 80.6 t80 -70.44 -23.03 62.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.593 0.711 . . . . 1.9199999999999999 109.498 173.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.635 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.7 mt -70.59 -40.58 77.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.412 -0.813 . . . . 0.67000000000000004 109.465 176.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.708 ' O ' HD13 ' B' ' 80' ' ' ILE . 2.0 p -69.41 -23.19 63.68 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.068 -0.514 . . . . 0.73999999999999999 110.246 173.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.674 ' HG ' HD11 ' B' ' 33' ' ' LEU . 2.2 tm? -60.88 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.92 -0.77 . . . . 1.1399999999999999 108.92 172.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 8.9 t -63.26 -31.29 52.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-N 115.562 -0.744 . . . . 0.33000000000000002 109.473 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -59.14 -50.77 72.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.078 -0.51 . . . . 0.42999999999999999 110.678 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.708 HD13 ' O ' ' B' ' 76' ' ' SER . 1.4 mp -58.09 -38.68 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 0.40000000000000002 110.29 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.908 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -75.55 -37.32 60.06 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.514 -0.766 . . . . 0.28000000000000003 111.706 -176.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.2 mt -65.0 -35.19 80.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.56 0.695 . . . . 0.33000000000000002 109.376 173.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.64 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 13.4 mttp -75.93 -20.78 57.69 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.298 -0.865 . . . . 1.6699999999999999 111.097 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' B' ' 91' ' ' LYS . . . -70.9 -24.9 62.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.317 0.579 . . . . 0.47999999999999998 109.562 173.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.441 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.05 -57.69 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.439 -0.801 . . . . 0.56999999999999995 111.127 173.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' B' ' 88' ' ' HIS . 39.0 t60 -83.13 -58.11 2.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.929 0.395 . . . . 2.6800000000000002 111.637 -174.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.519 ' C ' ' H ' ' B' ' 89' ' ' THR . 20.9 t80 -83.21 22.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.177 0.591 . . . . 1.8 110.209 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.564 ' HB2' ' HB3' ' B' ' 92' ' ' GLU . 6.2 p-80 -47.25 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.663 1.985 . . . . 3.27 116.187 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.519 ' H ' ' C ' ' B' ' 87' ' ' TYR . 41.2 p -67.77 -45.15 75.69 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.935 -0.478 . . . . 1.27 111.264 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -132.78 15.21 4.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.378 0.609 . . . . 3.4700000000000002 110.513 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.436 ' HD2' ' HB3' ' B' ' 83' ' ' LYS . 66.3 mttm -118.18 18.26 13.82 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.427 -0.806 . . . . 3.4700000000000002 109.252 174.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.564 ' HB3' ' HB2' ' B' ' 88' ' ' HIS . 8.2 tp10 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 114.99 -1.004 . . . . 7.0800000000000001 109.459 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.455 ' SD ' ' HG2' ' B' ' 17' ' ' GLN . 95.9 mmm . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.669 -0.493 . . . . 6.4199999999999999 109.669 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' B' ' 40' ' ' GLU . 87.3 m -112.1 106.31 14.91 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.296 -0.411 . . . . 4.25 109.933 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -115.03 -4.57 12.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.812 0.815 . . . . 6.0499999999999998 109.752 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -133.97 153.07 52.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.277 -1.008 . . . . 4.5 108.277 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.516 ' HB3' ' OG1' ' B' ' 44' ' ' THR . 0.0 OUTLIER -78.87 37.67 0.31 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.074 0.398 . . . . 3.1000000000000001 112.074 -173.44 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 35.4 mt-10 -61.59 -33.97 74.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.341 0.591 . . . . 2.5099999999999998 110.485 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.42 -58.61 3.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.822 -0.626 . . . . 2.1600000000000001 110.525 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.816 HD13 ' HB1' ' B' ' 81' ' ' ALA . 82.0 mt -64.0 -60.07 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.34000000000000002 111.453 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.35 -25.03 64.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.566 -0.531 . . . . 2.4100000000000001 109.566 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.606 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -63.71 -43.43 97.81 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.864 -0.684 . . . . 0.44 112.496 174.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.26 -45.93 92.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.185 0.517 . . . . 1.1599999999999999 109.869 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' B' ' 86' ' ' HIS . 4.1 t -51.03 -42.85 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.371 -0.831 . . . . 0.56999999999999995 111.4 170.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -67.43 -34.54 77.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 1.4199999999999999 111.126 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.606 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.6 mm -68.05 -41.27 84.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 120.832 0.349 . . . . 2.0600000000000001 110.207 177.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 74' ' ' PHE . 22.3 m-85 -58.56 -49.75 76.31 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.044 -0.724 . . . . 2.5699999999999998 109.044 173.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.83 -21.27 64.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.026 -0.988 . . . . 2.23 111.326 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' HG2' ' SD ' ' B' ' 1' ' ' MET . 7.3 tp-100 -71.3 -56.13 6.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.372 -0.377 . . . . 2.77 111.599 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.442 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 36.7 t80 -85.11 -52.93 5.6 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 119.269 -0.973 . . . . 6.25 110.577 -179.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -89.13 111.09 21.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.999 0.428 . . . . 3.0099999999999998 110.048 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.75 -179.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.038 -0.528 . . . . 4.1299999999999999 110.908 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -64.33 155.69 31.45 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.938 -0.305 . . . . 7.2800000000000002 110.565 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.516 ' HE2' ' OD2' ' A' ' 26' ' ' ASP . 55.8 mtpt -67.03 -89.0 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.302 -0.408 . . . . 8.6999999999999993 111.558 -172.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.65 -73.44 0.62 Allowed Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.104 -0.57 . . . . 5.6699999999999999 112.406 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -129.73 153.75 47.87 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.087 -0.708 . . . . 8.2699999999999996 109.087 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.6 t80 57.14 63.49 1.88 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.566 0.698 . . . . 7.5 109.5 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.516 ' OD2' ' HE2' ' A' ' 22' ' ' LYS . 6.3 m-20 -74.81 84.63 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.086 -0.961 . . . . 5.6200000000000001 110.905 -174.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t -165.69 115.44 1.02 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.341 0.591 . . . . 3.9399999999999999 111.273 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 69' ' ' VAL . 2.1 mm? -101.24 121.29 41.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 2.9100000000000001 107.987 172.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 m -104.73 -172.92 2.19 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.829 0.677 . . . . 1.3500000000000001 112.829 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 2.1 ttmp? -66.86 -35.88 81.05 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.311 -0.404 . . . . 1.3200000000000001 111.034 -177.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.97 -44.02 87.83 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 121.293 -0.479 . . . . 0.40000000000000002 113.186 -177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 32.4 mt-10 -66.33 -39.67 89.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.081 0.467 . . . . 2.4399999999999999 110.642 -178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.4 tp -62.52 -46.05 90.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.795 . . . . 0.52000000000000002 109.636 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 59.9 tttm -56.02 -45.44 79.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.343 -0.844 . . . . 1.8700000000000001 111.472 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 2.0 mp0 -57.67 -61.26 2.64 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.014 -0.274 . . . . 2.46 110.336 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 10.3 tt -49.14 -43.89 42.12 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 123.856 0.722 . . . . 0.45000000000000001 110.974 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 91.2 mt -68.27 -50.86 50.88 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.262 0.467 . . . . 0.45000000000000001 112.262 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 49' ' ' LYS . 31.7 p -65.79 -29.29 69.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.384 -0.371 . . . . 1.23 111.804 -175.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.9 ptmt -96.88 -39.87 9.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.678 0.621 . . . . 1.6100000000000001 112.678 -177.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' B' ' 2' ' ' THR . 10.3 mm-40 -92.86 -46.48 7.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.855 0.36 . . . . 1.6699999999999999 111.532 -170.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.571 HD22 HD11 ' B' ' 8' ' ' LEU . 17.5 mt -102.87 23.32 12.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.227 0.536 . . . . 1.4199999999999999 109.803 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.557 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.864 -1.062 . . . . 0.78000000000000003 111.97 -178.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -110.8 25.1 12.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.89 -0.595 . . . . 2.1600000000000001 110.632 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.534 ' OG1' ' HB3' ' B' ' 5' ' ' GLU . 13.4 m -120.41 -65.57 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.54 . . . . 0.66000000000000003 110.683 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.558 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 46.1 mt -84.16 137.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.024 -0.989 . . . . 0.59999999999999998 110.645 -174.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -58.7 127.36 31.81 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.596 -0.275 . . . . 1.6100000000000001 110.566 -179.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.444 ' HB2' ' HD2' ' A' ' 46' ' ' LYS . 3.9 m-20 48.65 39.5 13.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.501 -0.772 . . . . 1.48 110.931 175.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.558 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.1 tp -63.21 -8.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 122.247 1.022 . . . . 0.55000000000000004 110.032 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.528 ' HA ' HG22 ' A' ' 38' ' ' THR . 14.1 mmmm -82.27 -12.28 58.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.45 -1.25 . . . . 1.1100000000000001 109.893 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.5 133.34 35.12 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 121.493 0.664 . . . . 1.5800000000000001 110.686 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -62.19 -27.47 69.0 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.638 -1.165 . . . . 0.92000000000000004 110.77 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.86 74.08 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.664 0.745 . . . . 0.67000000000000004 109.469 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.6 t -76.78 -42.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.781 -1.1 . . . . 0.59999999999999998 109.41 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.419 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 52.4 mt -61.91 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.203 -0.908 . . . . 0.41999999999999998 111.101 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 17.0 t70 -60.63 -54.25 47.63 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 115.526 -0.761 . . . . 1.53 109.466 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -45.6 -46.18 14.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.311 -0.859 . . . . 1.77 111.439 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 53' ' ' VAL . 51.8 mt -69.21 -57.6 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.047 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.496 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 91.8 t80 -55.9 -44.51 78.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 1.6799999999999999 110.941 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 71.7 mm-40 -62.15 -29.49 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.863 -0.608 . . . . 1.9199999999999999 109.986 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.53 -22.44 75.35 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.53000000000000003 112.987 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -97.05 -41.44 8.36 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 117.315 0.558 . . . . 0.57999999999999996 109.903 179.699 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.21 76.67 0.09 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.138 0.899 . . . . 1.3999999999999999 110.693 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.67 -16.35 54.21 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.816 -1.084 . . . . 1.3 109.441 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.29 -20.42 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.919 -1.037 . . . . 2.7999999999999998 109.963 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 60.05 34.44 21.37 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 114.623 -1.172 . . . . 2.7200000000000002 111.545 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -135.36 17.05 3.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.812 0.815 . . . . 2.1299999999999999 109.66 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 60.99 52.8 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.526 -1.215 . . . . 2.02 109.982 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -134.55 116.84 15.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.532 -0.758 . . . . 2.1600000000000001 109.673 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 4.6 p -103.69 107.97 23.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 121.542 0.686 . . . . 1.8100000000000001 110.507 176.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.85 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.649 . . . . 2.02 109.535 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 97.2 m-85 -61.61 -26.54 68.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.994 0.426 . . . . 2.1699999999999999 110.92 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.608 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 51.8 tt0 -70.45 -35.44 73.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.309 0.576 . . . . 1.6599999999999999 110.364 172.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 35.0 mt-10 -80.43 -29.95 37.61 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 1.99 109.989 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 22.9 m-85 -62.32 -27.59 69.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.326 0.584 . . . . 1.9199999999999999 109.536 166.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.608 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.2 mt -68.38 -40.43 82.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.362 -0.836 . . . . 0.67000000000000004 109.328 176.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 80' ' ' ILE . 49.1 m -59.84 -36.06 76.04 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.538 -0.756 . . . . 0.73999999999999999 109.884 173.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.567 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 7.1 tp -57.63 -46.31 84.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.1499999999999999 110.731 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.442 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.9 t -67.21 -25.89 34.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 0.33000000000000002 109.817 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.93 -48.81 78.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.287 0.565 . . . . 0.42999999999999999 109.597 172.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -62.24 -37.59 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.166 -0.924 . . . . 0.40000000000000002 110.405 176.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.866 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.97 -38.43 53.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.908 -0.587 . . . . 0.28000000000000003 112.388 -174.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 95.9 mt -69.22 -36.11 76.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.625 0.726 . . . . 0.33000000000000002 109.092 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HG2' ' CD1' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -59.55 -38.39 80.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.729 -1.123 . . . . 1.6699999999999999 109.891 171.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HA ' ' HB2' ' A' ' 91' ' ' LYS . . . -71.09 -22.95 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.342 -0.845 . . . . 0.47999999999999998 111.666 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.61 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.3 -58.55 2.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.516 -0.311 . . . . 0.56999999999999995 111.539 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.621 ' HB2' HG13 ' B' ' 12' ' ' VAL . 72.7 t60 -86.21 -50.64 6.83 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.292 0.479 . . . . 2.6800000000000002 112.292 -174.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.553 ' O ' HG22 ' A' ' 89' ' ' THR . 4.6 t80 -89.74 23.04 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.766 -0.457 . . . . 1.8 109.766 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.594 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 3.7 p80 -45.74 20.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 117.029 2.233 . . . . 3.2599999999999998 117.029 -174.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 87' ' ' TYR . 4.5 t -62.98 -33.69 75.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 118.738 0.699 . . . . 1.26 112.865 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.532 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 27.3 t60 -140.78 -6.74 1.11 Allowed 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.052 -0.405 . . . . 3.4700000000000002 111.591 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 61.4 mttp -99.34 19.21 15.91 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.645 -0.502 . . . . 3.4700000000000002 109.645 172.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.594 ' CB ' ' HB2' ' A' ' 88' ' ' HIS . 6.1 tm-20 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.264 -0.874 . . . . 7.0899999999999999 109.153 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.477 ' SD ' ' HG2' ' A' ' 17' ' ' GLN . 95.5 mmm . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.869 -0.419 . . . . 6.4199999999999999 109.869 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 40' ' ' GLU . 86.6 m -112.51 106.06 14.43 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.049 0.452 . . . . 4.2599999999999998 109.912 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -114.47 -5.19 12.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.704 0.764 . . . . 6.04 109.861 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 47.3 tp -133.67 153.1 51.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.18 -1.044 . . . . 4.5 108.18 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.534 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 0.0 OUTLIER -79.02 37.9 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.085 0.402 . . . . 3.1000000000000001 112.085 -173.398 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.45 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 34.8 mt-10 -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.444 0.64 . . . . 2.5099999999999998 110.483 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -76.54 -58.56 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.815 -0.63 . . . . 2.1600000000000001 110.489 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.866 HD13 ' HB1' ' A' ' 81' ' ' ALA . 82.3 mt -63.98 -59.96 3.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.34000000000000002 111.509 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -68.6 -24.87 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 2.4100000000000001 109.64 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.603 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -63.95 -43.32 97.63 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.793 -0.718 . . . . 0.44 112.41 174.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.27 -46.04 91.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 1.1599999999999999 109.819 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' A' ' 86' ' ' HIS . 4.1 t -51.05 -42.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.297 -0.865 . . . . 0.56999999999999995 111.495 171.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -67.32 -34.84 78.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.637 -0.71 . . . . 1.4199999999999999 111.048 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.603 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.5 mm -67.97 -41.12 84.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-O 120.816 0.341 . . . . 2.0600000000000001 110.235 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' B' ' 74' ' ' PHE . 22.3 m-85 -58.63 -49.94 75.65 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.035 -0.728 . . . . 2.5800000000000001 109.035 173.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.64 -21.57 64.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.079 -0.964 . . . . 2.23 111.119 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.455 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 7.4 tp-100 -71.06 -56.17 6.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.565 -0.289 . . . . 2.77 111.513 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' B' ' 32' ' ' GLU . 36.3 t80 -84.83 -53.03 5.6 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 119.279 -0.969 . . . . 6.25 110.64 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p -89.1 111.16 21.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.064 0.459 . . . . 3.02 110.033 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.76 -179.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.013 -0.54 . . . . 4.1200000000000001 110.891 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -64.29 155.56 31.74 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.028 -0.269 . . . . 7.2800000000000002 110.536 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.488 ' HE2' ' OD2' ' B' ' 26' ' ' ASP . 55.7 mtpt -67.08 -88.93 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.325 -0.398 . . . . 8.7100000000000009 111.579 -172.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.69 -73.88 0.61 Allowed Glycine 0 C--O 1.228 -0.22 0 C-N-CA 120.941 -0.647 . . . . 5.6799999999999997 112.271 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -129.42 153.95 47.42 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.038 -0.727 . . . . 8.2699999999999996 109.038 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 56.97 63.43 1.93 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.567 0.699 . . . . 7.5 109.49 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.488 ' OD2' ' HE2' ' B' ' 22' ' ' LYS . 6.4 m-20 -74.65 84.88 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.073 -0.967 . . . . 5.6200000000000001 110.936 -174.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.1 t -165.91 115.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.367 0.604 . . . . 3.9500000000000002 111.206 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' B' ' 69' ' ' VAL . 2.1 mm? -101.46 121.17 41.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.0 -1.111 . . . . 2.9100000000000001 108.0 172.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -104.69 -172.88 2.18 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.776 0.658 . . . . 1.3500000000000001 112.776 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.511 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 2.1 ttmp? -66.85 -35.86 81.0 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.29 -0.414 . . . . 1.3200000000000001 111.119 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.12 87.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.31 -0.471 . . . . 0.40000000000000002 113.166 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.432 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 32.7 mt-10 -66.36 -39.7 89.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 2.4300000000000002 110.713 -178.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.8 tp -62.28 -46.15 90.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.429 -0.805 . . . . 0.52000000000000002 109.675 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 59.7 tttm -56.0 -45.48 79.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.357 -0.838 . . . . 1.8700000000000001 111.556 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.622 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 2.0 mp0 -57.43 -61.51 2.44 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.277 -0.268 . . . . 2.4500000000000002 110.277 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 10.3 tt -49.2 -43.54 42.41 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.812 0.695 . . . . 0.45000000000000001 111.027 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 90.3 mt -68.5 -50.9 48.82 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 112.276 0.473 . . . . 0.45000000000000001 112.276 -177.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.512 HG22 ' HA ' ' B' ' 49' ' ' LYS . 28.7 p -65.78 -28.97 69.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.373 -0.376 . . . . 1.23 111.766 -175.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 17.9 ptmt -97.17 -40.07 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.6 0.592 . . . . 1.6200000000000001 112.6 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 2' ' ' THR . 9.8 mm-40 -92.74 -46.39 7.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.928 0.394 . . . . 1.6699999999999999 111.6 -170.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 8' ' ' LEU . 17.7 mt -102.82 23.23 12.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.218 0.532 . . . . 1.4199999999999999 109.818 -174.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.543 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -56.21 -30.35 62.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.817 -1.083 . . . . 0.78000000000000003 111.937 -178.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -111.05 24.83 12.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.92 -0.582 . . . . 2.1600000000000001 110.74 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 5' ' ' GLU . 12.3 m -120.23 -66.16 1.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.279 0.561 . . . . 0.66000000000000003 110.502 177.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 46.6 mt -83.65 137.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.119 -0.946 . . . . 0.59999999999999998 110.499 -173.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -58.89 127.26 31.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.538 -0.301 . . . . 1.6100000000000001 110.674 -179.159 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.435 ' HB2' ' HD2' ' B' ' 46' ' ' LYS . 3.9 m-20 48.74 39.54 14.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.56 -0.746 . . . . 1.48 110.837 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -63.25 -8.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 122.284 1.04 . . . . 0.56000000000000005 110.023 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.512 ' HA ' HG22 ' B' ' 38' ' ' THR . 14.0 mmmm -82.46 -12.07 58.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.32 -1.309 . . . . 1.1100000000000001 109.959 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.68 133.54 35.07 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.492 0.663 . . . . 1.5900000000000001 110.639 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.511 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -62.36 -27.24 68.93 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.591 -1.186 . . . . 0.92000000000000004 110.68 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.96 74.24 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.603 0.716 . . . . 0.67000000000000004 109.484 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.522 ' O ' HG13 ' B' ' 57' ' ' ILE . 25.4 t -76.83 -42.24 33.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.652 -1.158 . . . . 0.59999999999999998 109.405 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.425 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 52.6 mt -61.81 -39.72 84.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 0.41999999999999998 111.148 174.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' B' ' 59' ' ' GLN . 16.5 t70 -60.59 -54.28 47.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.512 -0.767 . . . . 1.53 109.456 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -45.64 -45.93 14.28 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.291 -0.868 . . . . 1.77 111.461 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 53' ' ' VAL . 52.3 mt -69.48 -57.47 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.066 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.492 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 91.6 t80 -55.84 -44.65 78.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.951 -0.568 . . . . 1.6699999999999999 110.999 -176.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 73.1 mm-40 -62.05 -28.97 69.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.777 -0.647 . . . . 1.9099999999999999 110.105 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.91 -22.47 74.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.53000000000000003 113.081 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -97.04 -41.45 8.36 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 117.301 0.551 . . . . 0.58999999999999997 109.791 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.23 76.51 0.09 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.962 0.887 . . . . 1.3999999999999999 110.762 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.53 -16.31 54.55 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.899 -1.046 . . . . 1.3100000000000001 109.38 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.36 -20.25 61.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.864 -1.062 . . . . 2.7999999999999998 110.043 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 59.81 34.39 21.86 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.635 -1.166 . . . . 2.7200000000000002 111.558 173.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -135.39 16.85 3.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.694 0.759 . . . . 2.1400000000000001 109.642 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' B' ' 58' ' ' PHE . 35.4 tt0 60.92 53.02 3.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.67 -1.15 . . . . 2.0099999999999998 110.045 -174.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -134.71 116.44 14.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.46 -0.791 . . . . 2.1600000000000001 109.786 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' B' ' 28' ' ' LEU . 4.7 p -103.36 108.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.515 0.674 . . . . 1.8100000000000001 110.44 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.07 167.8 21.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.794 -0.639 . . . . 2.02 109.417 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 2.1800000000000002 110.918 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.604 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 51.7 tt0 -70.81 -35.27 72.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 1.6699999999999999 110.378 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 35.1 mt-10 -80.52 -29.96 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.936 -0.575 . . . . 1.99 110.039 178.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 22.7 m-85 -62.42 -27.58 69.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.417 0.627 . . . . 1.9199999999999999 109.488 166.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.2 mt -68.38 -40.36 82.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.334 -0.848 . . . . 0.67000000000000004 109.398 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.604 ' O ' HD13 ' B' ' 80' ' ' ILE . 50.7 m -59.81 -36.13 76.12 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.545 -0.752 . . . . 0.73999999999999999 109.927 173.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 7.0 tp -57.45 -46.44 83.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.827 0.346 . . . . 1.1399999999999999 110.731 176.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 10.0 t -67.26 -25.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.152 -0.476 . . . . 0.33000000000000002 109.881 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.8 -49.18 77.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.283 0.564 . . . . 0.42999999999999999 109.513 172.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.604 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -61.97 -37.54 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.13 -0.941 . . . . 0.40000000000000002 110.498 176.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.816 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.06 -38.39 52.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.605 . . . . 0.28000000000000003 112.348 -174.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 95.9 mt -69.24 -36.08 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.761 . . . . 0.33000000000000002 109.143 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.493 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -59.59 -38.5 81.4 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.683 -1.144 . . . . 1.6699999999999999 109.86 172.014 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.414 ' HA ' ' HB2' ' B' ' 91' ' ' LYS . . . -70.85 -23.16 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.287 -0.869 . . . . 0.47999999999999998 111.742 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.586 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -83.11 -58.74 2.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.438 -0.346 . . . . 0.56999999999999995 111.472 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.621 ' HB2' HG13 ' A' ' 12' ' ' VAL . 71.9 t60 -86.32 -50.25 7.07 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.278 0.473 . . . . 2.6800000000000002 112.278 -174.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.538 ' O ' HG22 ' B' ' 89' ' ' THR . 4.5 t80 -89.87 23.13 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 1.8 109.811 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.601 ' HB2' ' CB ' ' B' ' 92' ' ' GLU . 3.7 p80 -45.97 20.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.912 2.19 . . . . 3.27 116.912 -174.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.538 HG22 ' O ' ' B' ' 87' ' ' TYR . 4.3 t -62.61 -34.53 77.2 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.756 0.707 . . . . 1.27 112.841 -177.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 27.1 t60 -140.12 -6.83 1.22 Allowed 'General case' 0 N--CA 1.47 0.526 0 O-C-N 122.003 -0.436 . . . . 3.4700000000000002 111.571 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' B' ' 45' ' ' ILE . 61.4 mttp -99.15 18.93 16.24 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.658 -0.497 . . . . 3.4700000000000002 109.658 172.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.601 ' CB ' ' HB2' ' B' ' 88' ' ' HIS . 6.0 tm-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.517 -0.754 . . . . 7.0800000000000001 109.196 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.557 0.218 . . . . 6.4199999999999999 110.752 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -153.46 68.26 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.793 0.806 . . . . 4.25 110.553 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -112.87 16.44 19.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 6.0499999999999998 109.673 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp 66.36 -177.56 0.19 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.938 -1.028 . . . . 4.5 111.77 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.455 ' CD ' ' HB3' ' B' ' 43' ' ' ASN . 3.9 mp0 -83.94 11.08 8.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.16 -0.927 . . . . 3.1000000000000001 108.912 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 38.7 tt0 -61.2 -18.57 58.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.306 -1.315 . . . . 2.5099999999999998 111.849 -174.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.464 ' HA ' ' HA ' ' B' ' 7' ' ' HIS . 78.8 m-70 -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.403 -0.592 . . . . 2.1600000000000001 109.403 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.828 HD13 ' HB1' ' B' ' 81' ' ' ALA . 41.6 mt -65.03 -59.74 3.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.897 -1.047 . . . . 0.34000000000000002 111.249 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.07 -21.95 66.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 2.4100000000000001 110.569 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.68 -35.76 74.5 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.724 -0.75 . . . . 0.44 112.149 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.87 -38.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.942 0.877 . . . . 1.1599999999999999 109.582 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 85' ' ' ALA . 99.0 t -69.3 -41.48 81.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.888 -1.051 . . . . 0.56999999999999995 111.774 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -80.04 -19.29 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.065 0.395 . . . . 1.4199999999999999 112.065 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.4 pt -79.52 -31.68 14.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.082 -0.647 . . . . 2.0600000000000001 110.26 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.21 -43.68 73.63 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.529 -0.915 . . . . 2.5699999999999998 108.529 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.403 ' CE1' ' H ' ' A' ' 22' ' ' LYS . 3.2 t-160 -57.86 -32.52 67.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.752 -1.113 . . . . 2.23 110.17 174.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.88 -53.72 19.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.585 -0.734 . . . . 2.77 112.148 -174.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -85.22 -44.06 13.24 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.087 -0.645 . . . . 6.25 111.663 -175.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.3 m -65.45 -73.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.055 0.391 . . . . 3.0099999999999998 112.055 -174.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 24' ' ' HIS . 9.3 p -178.12 166.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 110.377 -0.231 . . . . 4.1299999999999999 110.377 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' N ' HG22 ' A' ' 20' ' ' VAL . 4.9 ptp180 -56.59 118.21 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.031 0.443 . . . . 7.2800000000000002 110.912 175.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 13.6 mmmm 67.0 -68.54 0.15 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.239 -0.891 . . . . 8.6999999999999993 111.806 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.23 160.61 10.7 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.043 -0.598 . . . . 5.6699999999999999 112.029 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.504 ' CD2' HG11 ' A' ' 20' ' ' VAL . 3.4 m170 -103.09 -178.47 3.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.549 0.214 . . . . 8.2699999999999996 110.461 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -93.19 -63.68 1.18 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.994 0.426 . . . . 7.5 110.525 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -99.09 -19.97 16.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 5.6200000000000001 110.848 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -78.72 75.68 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 3.9399999999999999 110.592 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 70' ' ' ASP . 78.1 mt -145.88 64.44 1.23 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.669 -0.696 . . . . 2.9100000000000001 109.188 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 m -103.58 -172.7 2.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.844 0.683 . . . . 1.3500000000000001 112.844 -170.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE2' ' A' ' 51' ' ' LYS . 25.0 ttmt -75.64 -24.94 56.49 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.3200000000000001 111.503 -174.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.09 -58.55 13.99 Favored Glycine 0 C--N 1.327 0.075 0 C-N-CA 121.035 -0.602 . . . . 0.40000000000000002 113.117 -176.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -63.28 -38.32 90.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.002 0.429 . . . . 2.4399999999999999 111.22 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.631 HD11 HD13 ' A' ' 77' ' ' LEU . 16.5 tp -55.06 -50.08 70.01 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.215 -0.902 . . . . 0.52000000000000002 109.421 175.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 60.7 tttm -56.05 -46.83 78.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.663 -1.153 . . . . 1.8700000000000001 111.437 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.2 mp0 -56.4 -60.21 3.85 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 110.201 -0.296 . . . . 2.46 110.201 174.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -48.97 -50.59 34.93 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.762 0.664 . . . . 0.45000000000000001 110.743 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.65 HD21 HD11 ' A' ' 77' ' ' LEU . 95.1 mt -60.28 -50.06 75.15 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.357 0.503 . . . . 0.45000000000000001 112.357 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 49' ' ' LYS . 50.8 p -70.34 -27.75 64.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.071 0.397 . . . . 1.23 112.071 -174.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 12.3 ptmm? -97.62 -31.3 12.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.699 0.629 . . . . 1.6100000000000001 112.699 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -101.07 -39.54 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 1.6699999999999999 111.289 -172.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.81 20.95 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.744 -0.465 . . . . 1.4199999999999999 109.744 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.8 -30.88 35.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.065 -0.97 . . . . 0.78000000000000003 112.706 -176.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.468 ' HB3' ' CD ' ' B' ' 5' ' ' GLU . 65.5 t30 -115.68 26.09 10.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.033 0.444 . . . . 2.1600000000000001 111.395 -173.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -118.87 -64.19 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.283 0.564 . . . . 0.66000000000000003 110.345 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 44.7 mt -81.58 132.45 31.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.302 -0.863 . . . . 0.59999999999999998 110.009 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 90' ' ' HIS . 1.9 pptp? -54.85 124.26 16.03 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.814 0.34 . . . . 1.6100000000000001 110.604 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 48.82 43.74 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.295 -0.866 . . . . 1.48 111.568 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.3 tp -61.93 -9.17 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.993 0.902 . . . . 0.55000000000000004 110.2 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.5 OUTLIER -79.14 -13.21 59.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.959 -1.018 . . . . 1.1100000000000001 110.049 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.34 127.78 35.19 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.652 -0.704 . . . . 1.5800000000000001 111.129 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 21.4 tptp -64.1 -24.96 67.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.765 -1.107 . . . . 0.92000000000000004 110.699 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.97 63.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.466 -0.568 . . . . 0.67000000000000004 109.466 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 57' ' ' ILE . 39.3 t -73.31 -44.54 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.144 -0.935 . . . . 0.59999999999999998 108.994 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 73.0 mt -64.35 -37.41 79.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.859 -1.064 . . . . 0.41999999999999998 111.365 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.63 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -63.37 -43.99 96.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.143 -0.688 . . . . 1.53 109.143 -178.357 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -53.99 -45.56 71.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.625 -1.171 . . . . 1.77 111.185 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.614 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 43.0 mt -68.71 -56.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.413 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 67' ' ' GLU . 2.6 t80 -48.88 -47.41 43.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.342 -0.845 . . . . 1.6799999999999999 111.159 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -64.6 -31.84 73.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.983 -0.553 . . . . 1.9199999999999999 110.93 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.93 -22.33 78.79 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.873 -0.68 . . . . 0.53000000000000003 112.351 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -96.69 -44.64 7.02 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.675 -0.491 . . . . 0.57999999999999996 109.675 179.119 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -79.45 79.14 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.461 0.648 . . . . 1.3999999999999999 109.959 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.66 70.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.033 -0.985 . . . . 1.3 111.463 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.38 -18.87 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.185 0.516 . . . . 2.7999999999999998 111.034 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 63.98 52.26 2.11 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.985 -1.007 . . . . 2.7200000000000002 111.817 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -108.48 8.76 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.108 0.48 . . . . 2.1299999999999999 110.234 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 tt0 64.52 43.21 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.969 -1.014 . . . . 2.02 109.865 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 22.9 mt-30 -138.77 116.65 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.103 -0.953 . . . . 2.1600000000000001 110.136 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -106.77 107.92 23.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.866 -0.606 . . . . 1.8100000000000001 110.194 175.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.419 ' HA ' HD13 ' A' ' 28' ' ' LEU . 30.7 t70 -71.25 168.22 17.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.072 -0.513 . . . . 2.02 110.406 177.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.14 -31.15 66.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 2.1699999999999999 110.934 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 57.2 tt0 -74.14 -36.33 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.365 0.603 . . . . 1.6599999999999999 110.69 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -76.28 -29.01 57.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.493 0.663 . . . . 1.99 109.853 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' VAL . 45.3 t80 -70.59 -23.86 62.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.597 -0.729 . . . . 1.9199999999999999 109.178 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.504 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.77 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.25 -0.886 . . . . 0.67000000000000004 109.668 175.275 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.6 p -69.3 -24.21 63.91 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.21 -0.45 . . . . 0.73999999999999999 110.453 174.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.65 HD11 HD21 ' A' ' 37' ' ' LEU . 8.1 tt -65.68 -41.73 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.425 -0.583 . . . . 1.1499999999999999 109.425 174.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 74' ' ' PHE . 16.2 t -64.31 -28.14 44.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 115.71 -0.677 . . . . 0.33000000000000002 109.445 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.75 -51.93 67.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.125 0.488 . . . . 0.42999999999999999 109.963 174.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 76' ' ' SER . 1.7 mp -56.81 -37.63 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.507 -0.769 . . . . 0.40000000000000002 110.275 175.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.808 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -76.27 -34.52 59.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.631 -0.713 . . . . 0.28000000000000003 112.242 -176.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 97.3 mt -72.02 -34.54 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.447 0.641 . . . . 0.33000000000000002 109.441 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -68.64 -30.58 69.32 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.268 -0.878 . . . . 1.6699999999999999 109.976 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 81' ' ' ALA . . . -63.02 -39.5 94.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.998 0.427 . . . . 0.47999999999999998 110.634 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -70.51 -55.39 9.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.747 -0.661 . . . . 0.56999999999999995 112.162 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 83' ' ' LYS . 18.9 p-80 -86.11 -39.88 16.27 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.989 0.423 . . . . 2.6800000000000002 111.82 -174.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.549 ' HB3' ' O ' ' A' ' 83' ' ' LYS . 35.9 t80 -89.82 22.64 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.535 0.734 . . . . 1.8 109.786 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 92' ' ' GLU . 4.1 p-80 -46.34 20.47 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.238 1.94 . . . . 3.2599999999999998 116.238 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.506 ' H ' ' C ' ' A' ' 87' ' ' TYR . 9.7 t -87.38 -8.85 56.13 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.368 -0.833 . . . . 1.26 111.259 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.59 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.2 t60 -160.73 -24.8 0.06 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.561 0.208 . . . . 3.4700000000000002 111.561 -177.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -92.73 10.73 29.52 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.22 -0.592 . . . . 3.4700000000000002 109.948 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.42 ' CA ' ' HB3' ' A' ' 46' ' ' LYS . 2.1 tm-20 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.119 -0.946 . . . . 7.0899999999999999 108.587 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.6 ttm . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.411 0.148 . . . . 6.4199999999999999 110.817 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.4 t -153.98 68.42 0.76 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.936 0.874 . . . . 4.2599999999999998 110.473 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -113.0 16.31 19.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.863 -0.608 . . . . 6.04 109.698 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp 66.52 -177.61 0.2 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.063 -0.971 . . . . 4.5 111.783 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.468 ' CD ' ' HB3' ' A' ' 43' ' ' ASN . 3.9 mp0 -83.76 10.73 8.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.205 -0.907 . . . . 3.1000000000000001 109.029 177.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.484 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 38.1 tt0 -60.93 -18.67 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.259 -1.337 . . . . 2.5099999999999998 111.774 -174.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 79.0 m-70 -66.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.327 -0.62 . . . . 2.1600000000000001 109.327 175.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.808 HD13 ' HB1' ' A' ' 81' ' ' ALA . 41.1 mt -64.89 -59.75 3.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.878 -1.055 . . . . 0.34000000000000002 111.285 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.13 -21.68 66.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 2.4100000000000001 110.749 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -69.91 -35.76 72.79 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.89 -0.671 . . . . 0.44 112.166 176.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.9 mm -66.93 -38.41 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.955 0.883 . . . . 1.1599999999999999 109.549 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 85' ' ' ALA . 97.2 t -69.34 -41.37 80.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.882 -1.054 . . . . 0.56999999999999995 111.802 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -80.08 -19.3 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.138 0.421 . . . . 1.4199999999999999 112.138 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 pt -79.59 -31.81 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 119.978 -0.689 . . . . 2.0600000000000001 110.137 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -69.11 -43.65 74.01 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 108.571 -0.899 . . . . 2.5800000000000001 108.571 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.407 ' CE1' ' H ' ' B' ' 22' ' ' LYS . 3.2 t-160 -57.9 -32.65 67.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.74 -1.118 . . . . 2.23 110.055 174.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -69.07 -53.16 21.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.675 -0.693 . . . . 2.77 112.304 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -85.37 -44.18 13.02 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.038 -0.665 . . . . 6.25 111.689 -175.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m -65.25 -73.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.09 0.404 . . . . 3.02 112.09 -174.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' B' ' 24' ' ' HIS . 9.4 p -177.72 166.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 110.337 -0.246 . . . . 4.1200000000000001 110.337 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.411 ' N ' HG22 ' B' ' 20' ' ' VAL . 4.8 ptp180 -56.46 117.85 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 7.2800000000000002 110.906 175.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.407 ' H ' ' CE1' ' B' ' 16' ' ' HIS . 13.5 mmmm 67.43 -68.98 0.14 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.346 -0.843 . . . . 8.7100000000000009 111.8 -176.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.87 160.47 10.72 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.997 -0.62 . . . . 5.6799999999999997 112.061 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.499 ' CD2' HG11 ' B' ' 20' ' ' VAL . 3.3 m170 -102.82 -178.18 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.493 -0.188 . . . . 8.2699999999999996 110.493 176.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -93.41 -63.94 1.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.99 0.424 . . . . 7.5 110.485 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -98.47 -20.43 17.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.06 -0.518 . . . . 5.6200000000000001 110.951 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -78.46 76.16 4.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 3.9500000000000002 110.508 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' B' ' 68' ' ' GLN . 77.9 mt -146.35 64.42 1.2 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.076 -0.712 . . . . 2.9100000000000001 109.076 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.1 m -103.46 -172.69 2.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.845 0.683 . . . . 1.3500000000000001 112.845 -170.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HD2' ' HE2' ' B' ' 51' ' ' LYS . 24.8 ttmt -75.69 -24.81 56.31 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.992 -0.549 . . . . 1.3200000000000001 111.555 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.36 -58.38 14.88 Favored Glycine 0 N--CA 1.454 -0.117 0 C-N-CA 120.929 -0.653 . . . . 0.40000000000000002 113.137 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.21 -38.41 91.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.991 0.424 . . . . 2.4300000000000002 111.178 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 16.5 tp -55.09 -49.97 70.36 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.145 -0.934 . . . . 0.52000000000000002 109.421 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 61.0 tttm -56.17 -46.9 79.16 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.65 -1.159 . . . . 1.8700000000000001 111.365 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 1.3 mp0 -56.37 -59.95 4.22 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 110.215 -0.291 . . . . 2.4500000000000002 110.215 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.15 -50.53 37.18 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 123.746 0.654 . . . . 0.45000000000000001 110.827 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.647 HD21 HD11 ' B' ' 77' ' ' LEU . 94.8 mt -60.41 -49.76 76.28 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.042 -0.526 . . . . 0.45000000000000001 112.344 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.599 HG22 ' HA ' ' B' ' 49' ' ' LYS . 46.4 p -70.43 -27.86 64.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.062 0.393 . . . . 1.23 112.062 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 12.3 ptmm? -97.72 -31.32 12.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.58 0.585 . . . . 1.6200000000000001 112.58 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -101.07 -39.61 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 1.6699999999999999 111.246 -172.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.52 20.51 18.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.801 -0.444 . . . . 1.4199999999999999 109.801 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.84 -30.36 33.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.096 -0.956 . . . . 0.78000000000000003 112.766 -176.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.455 ' HB3' ' CD ' ' A' ' 5' ' ' GLU . 65.6 t30 -115.92 26.19 10.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.979 0.418 . . . . 2.1600000000000001 111.371 -173.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.403 HG21 ' CD1' ' A' ' 8' ' ' LEU . 2.9 m -118.87 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.236 0.541 . . . . 0.66000000000000003 110.358 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 44.4 mt -81.44 132.45 31.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.367 -0.833 . . . . 0.59999999999999998 109.97 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 1.9 pptp? -54.81 124.28 16.03 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 120.79 0.328 . . . . 1.6100000000000001 110.67 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 48.84 43.7 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.306 -0.861 . . . . 1.48 111.525 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.3 tp -62.01 -9.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.939 0.876 . . . . 0.56000000000000005 110.206 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.599 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.5 OUTLIER -79.3 -13.01 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.9 -1.045 . . . . 1.1100000000000001 109.95 178.074 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.39 128.02 35.2 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.646 -0.706 . . . . 1.5900000000000001 111.122 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 21.6 tptp -64.48 -24.9 67.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.804 -1.089 . . . . 0.92000000000000004 110.629 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -32.86 63.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 0.67000000000000004 109.503 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.516 ' O ' HG13 ' B' ' 57' ' ' ILE . 39.2 t -73.41 -44.39 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.182 -0.917 . . . . 0.59999999999999998 109.079 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.43 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 73.5 mt -64.38 -37.56 80.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.9 -1.046 . . . . 0.41999999999999998 111.398 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.633 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.3 OUTLIER -63.12 -44.17 96.36 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.27 -0.641 . . . . 1.53 109.27 -178.459 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -53.86 -45.36 70.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.658 -1.156 . . . . 1.77 111.297 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 41.9 mt -68.85 -56.95 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.546 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' B' ' 67' ' ' GLU . 2.6 t80 -49.06 -47.26 45.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.343 -0.844 . . . . 1.6699999999999999 111.113 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.79 -31.49 72.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.021 -0.536 . . . . 1.9099999999999999 111.064 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.18 -22.34 78.89 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.865 -0.683 . . . . 0.53000000000000003 112.304 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.2 OUTLIER -96.84 -44.45 7.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.715 -0.476 . . . . 0.58999999999999997 109.715 179.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -79.48 79.02 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.609 0.719 . . . . 1.3999999999999999 109.96 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.65 70.32 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.014 -0.994 . . . . 1.3100000000000001 111.467 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' B' ' 64' ' ' ASN . 11.1 m120 -87.58 -18.34 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.171 0.51 . . . . 2.7999999999999998 111.082 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 63.45 52.79 2.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 114.939 -1.028 . . . . 2.7200000000000002 111.756 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -109.06 8.76 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.167 0.508 . . . . 2.1400000000000001 110.243 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.567 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 23.1 tt0 64.99 42.76 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 2.0099999999999998 109.845 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 28' ' ' LEU . 23.1 mt-30 -138.36 116.77 11.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.224 -0.898 . . . . 2.1600000000000001 110.095 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.6 t -106.73 107.94 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.901 -0.59 . . . . 1.8100000000000001 110.182 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.405 ' HA ' HD13 ' B' ' 28' ' ' LEU . 31.0 t70 -70.9 168.1 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 2.02 110.4 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -58.21 -31.14 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.879 0.371 . . . . 2.1800000000000002 110.967 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.508 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 57.1 tt0 -74.08 -36.37 64.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.461 0.648 . . . . 1.6699999999999999 110.719 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.27 -29.14 57.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.501 0.667 . . . . 1.99 109.808 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' B' ' 78' ' ' VAL . 45.3 t80 -70.51 -23.89 62.73 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.53 -0.759 . . . . 1.9199999999999999 109.176 171.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -67.83 -41.8 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.246 -0.888 . . . . 0.67000000000000004 109.556 175.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.59 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 1.5 p -69.54 -24.03 63.67 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.121 -0.49 . . . . 0.73999999999999999 110.323 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.647 HD11 HD21 ' B' ' 37' ' ' LEU . 8.1 tt -65.74 -41.66 91.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.446 -0.576 . . . . 1.1399999999999999 109.446 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 74' ' ' PHE . 16.4 t -64.48 -28.16 44.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 115.625 -0.716 . . . . 0.33000000000000002 109.36 176.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.77 -51.82 67.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.127 0.489 . . . . 0.42999999999999999 110.043 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.537 HD13 ' O ' ' B' ' 76' ' ' SER . 1.7 mp -56.81 -37.66 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.472 -0.785 . . . . 0.40000000000000002 110.267 175.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.828 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -76.18 -34.58 59.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.692 -0.686 . . . . 0.28000000000000003 112.265 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 97.4 mt -72.0 -34.53 68.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.433 0.635 . . . . 0.33000000000000002 109.507 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' B' ' 87' ' ' TYR . 0.5 OUTLIER -68.69 -30.55 69.24 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.151 -0.931 . . . . 1.6699999999999999 109.953 172.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 81' ' ' ALA . . . -63.04 -39.48 94.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.119 0.485 . . . . 0.47999999999999998 110.66 175.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -70.42 -55.47 8.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.748 -0.66 . . . . 0.56999999999999995 112.196 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' B' ' 83' ' ' LYS . 18.7 p-80 -86.06 -40.2 15.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.995 0.426 . . . . 2.6800000000000002 111.779 -174.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' B' ' 83' ' ' LYS . 35.2 t80 -89.49 22.7 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.511 0.724 . . . . 1.8 109.917 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.402 ' HB2' ' HB3' ' B' ' 92' ' ' GLU . 4.0 p-80 -46.48 20.54 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.274 1.953 . . . . 3.27 116.274 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 87' ' ' TYR . 9.0 t -87.4 -8.62 56.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 121.494 -0.754 . . . . 1.27 111.272 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.595 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 18.6 t60 -161.06 -24.49 0.06 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.608 0.225 . . . . 3.4700000000000002 111.608 -177.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.91 10.45 31.1 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.386 -0.525 . . . . 3.4700000000000002 109.956 174.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.42 ' CA ' ' HB3' ' B' ' 46' ' ' LYS . 1.8 tm-20 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.173 -0.918 . . . . 7.0800000000000001 108.548 174.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.013 -0.366 . . . . 6.4199999999999999 110.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.2 m -64.05 109.24 1.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.055 0.455 . . . . 4.25 110.677 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -96.45 -56.96 2.44 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.807 -0.812 . . . . 6.0499999999999998 108.807 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.643 HD23 ' H ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -99.46 127.08 45.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.358 -0.979 . . . . 4.5 108.358 172.681 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.533 ' OE1' ' HB2' ' A' ' 7' ' ' HIS . 0.5 OUTLIER -64.81 124.09 21.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.297 0.57 . . . . 3.1000000000000001 110.71 -171.256 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.65 -27.82 37.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.47 -0.786 . . . . 2.5099999999999998 111.259 -172.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.534 ' O ' HG13 ' A' ' 11' ' ' ILE . 47.7 m80 -80.02 -50.61 10.13 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.875 -0.417 . . . . 2.1600000000000001 109.875 -175.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.868 HD13 ' HB1' ' B' ' 81' ' ' ALA . 75.0 mt -53.39 -60.82 2.81 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.483 0.659 . . . . 0.34000000000000002 111.529 176.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -67.37 -22.43 65.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.065 -0.97 . . . . 2.4100000000000001 110.417 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.597 ' O ' HG12 ' A' ' 14' ' ' ILE . . . -72.03 -39.0 59.49 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.714 -0.676 . . . . 0.44 111.844 175.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 7' ' ' HIS . 80.4 mt -66.65 -44.8 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.726 -0.472 . . . . 1.1599999999999999 109.726 177.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.694 HG21 ' HB3' ' B' ' 85' ' ' ALA . 39.4 t -50.05 -44.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.592 -0.731 . . . . 0.56999999999999995 111.026 169.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -63.89 -42.56 97.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 1.4199999999999999 111.071 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 10' ' ' GLY . 51.1 mm -65.66 -36.44 77.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 121.008 0.432 . . . . 2.0600000000000001 110.534 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -58.49 -32.13 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.944 -0.571 . . . . 2.5699999999999998 110.317 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -85.62 -20.9 28.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 2.23 110.347 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 24.1 tp60 -79.6 -19.64 48.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 2.77 112.546 -171.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -49.07 -29.11 4.71 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.071 0.397 . . . . 6.25 112.071 -176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m 72.39 167.12 0.31 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.26 0.624 . . . . 3.0099999999999998 111.494 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.5 t 60.03 62.57 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.646 0.736 . . . . 4.1299999999999999 109.541 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -73.75 93.08 2.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.206 -0.906 . . . . 7.2800000000000002 110.464 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -131.61 124.64 30.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.931 -0.577 . . . . 8.6999999999999993 110.552 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.81 -170.48 36.58 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 111.235 -0.746 . . . . 5.6699999999999999 111.235 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -91.39 -73.96 0.52 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.502 -0.555 . . . . 8.2699999999999996 109.502 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -96.77 -61.99 1.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.646 -0.872 . . . . 7.5 108.646 173.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -134.14 -49.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.93 -0.767 . . . . 5.6200000000000001 108.93 170.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.0 m 73.09 -82.12 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.159 -0.928 . . . . 3.9399999999999999 112.043 172.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 50.45 85.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.268 0.556 . . . . 2.9100000000000001 111.164 -175.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -97.9 -171.71 2.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.428 -0.351 . . . . 1.3500000000000001 111.062 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' CD ' ' HE3' ' A' ' 51' ' ' LYS . 24.8 ttmt -65.55 -25.78 67.58 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.77 -0.372 . . . . 1.3200000000000001 110.679 -176.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -52.43 50.89 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 120.981 -0.628 . . . . 0.40000000000000002 112.643 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.68 -42.76 81.6 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.105 0.479 . . . . 2.4399999999999999 111.139 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 21.0 tp -64.17 -46.04 85.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.483 -0.78 . . . . 0.52000000000000002 109.956 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HA ' HD13 ' A' ' 54' ' ' ILE . 15.4 tptp -52.76 -45.8 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 1.8700000000000001 110.883 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.653 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 54.8 tt0 -59.02 -60.93 3.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.821 -0.627 . . . . 2.46 110.381 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.463 HD11 HG22 ' A' ' 14' ' ' ILE . 10.3 tt -53.91 -45.05 71.05 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.347 0.405 . . . . 0.45000000000000001 111.384 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.0 mt -66.8 -50.32 63.0 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 112.417 0.525 . . . . 0.45000000000000001 112.417 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.1 t -64.78 -28.94 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.23 111.322 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -97.05 -41.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.676 0.621 . . . . 1.6100000000000001 112.676 -178.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 15.6 mm-40 -91.66 -39.15 12.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 1.6699999999999999 111.481 -168.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.13 21.31 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.033 0.444 . . . . 1.4199999999999999 110.04 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.404 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -50.28 -47.05 55.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.811 -1.086 . . . . 0.78000000000000003 113.226 -172.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -108.68 29.35 7.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.307 0.575 . . . . 2.1600000000000001 110.68 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.7 m -118.23 -56.24 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.66000000000000003 110.499 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 52.5 mt -90.33 136.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.854 -0.612 . . . . 0.59999999999999998 110.137 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HB3' ' C ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -57.12 125.8 24.32 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.499 -0.319 . . . . 1.6100000000000001 110.887 -179.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.467 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.9 OUTLIER 49.97 36.51 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 1.48 111.039 174.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 10.3 tp -63.35 -6.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 122.367 1.08 . . . . 0.55000000000000004 109.985 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 47' ' ' ASN . 12.6 mmmm -85.4 -12.87 51.04 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.345 -1.298 . . . . 1.1100000000000001 109.761 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -90.99 129.7 36.98 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.483 -0.78 . . . . 1.5800000000000001 110.177 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.9 -21.2 66.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.002 -0.545 . . . . 0.92000000000000004 110.562 176.672 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -68.87 -35.12 76.51 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.626 0.727 . . . . 0.67000000000000004 109.129 175.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 25.1 t -81.08 -44.53 20.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.524 -1.216 . . . . 0.59999999999999998 109.611 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 34' ' ' LYS . 38.9 mt -59.35 -32.48 48.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.448 -0.797 . . . . 0.41999999999999998 110.582 174.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -67.03 -46.66 73.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.377 -0.829 . . . . 1.53 109.529 175.202 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 36.3 mm-40 -52.73 -45.23 66.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.14 -0.936 . . . . 1.77 111.061 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.58 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 1.7 mp -65.22 -60.12 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.803 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.441 ' CE1' HG13 ' A' ' 69' ' ' VAL . 89.9 t80 -57.7 -44.75 86.08 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.569 -0.741 . . . . 1.6799999999999999 110.994 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.03 -24.93 63.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 1.9199999999999999 110.672 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.65 -25.16 76.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.584 -0.817 . . . . 0.53000000000000003 111.828 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -97.12 -48.12 5.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.122 -0.696 . . . . 0.57999999999999996 109.122 178.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.534 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 47.2 t0 -75.85 76.82 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.923 -1.035 . . . . 1.3999999999999999 110.194 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.47 -19.18 61.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.423 -0.808 . . . . 1.3 110.597 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -81.57 -20.66 39.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.248 0.547 . . . . 2.7999999999999998 110.295 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 62.44 33.81 15.93 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 114.927 -1.033 . . . . 2.7200000000000002 111.439 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -102.37 2.04 36.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.32 0.581 . . . . 2.1299999999999999 110.265 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 30.8 tt0 69.67 41.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 2.02 111.04 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -145.16 117.72 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.643 -0.708 . . . . 2.1600000000000001 109.736 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG13 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -100.62 120.54 50.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.84 0.829 . . . . 1.8100000000000001 111.392 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.3 174.1 8.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 2.02 110.587 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.13 -33.95 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 2.1699999999999999 109.907 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 31.1 tt0 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.4 0.619 . . . . 1.6599999999999999 110.836 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.534 ' OE1' ' HA ' ' A' ' 62' ' ' ASP . 38.5 mt-10 -71.98 -38.3 69.73 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.616 -0.72 . . . . 1.99 110.12 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.44 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 77.2 t80 -63.31 -30.94 71.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 1.9199999999999999 109.974 171.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.8 mt -63.7 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.537 -0.756 . . . . 0.67000000000000004 109.12 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.627 ' O ' HD13 ' A' ' 80' ' ' ILE . 49.9 m -66.31 -34.06 77.14 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.074 -0.966 . . . . 0.73999999999999999 110.166 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.531 HD23 ' CG2' ' A' ' 57' ' ' ILE . 1.2 tm? -58.92 -45.42 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.426 -0.583 . . . . 1.1499999999999999 109.426 175.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 15.9 t -65.83 -29.64 47.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.182 -0.463 . . . . 0.33000000000000002 110.0 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.8 -51.1 70.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.054 -0.521 . . . . 0.42999999999999999 109.975 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.11 -35.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.367 -0.833 . . . . 0.40000000000000002 110.494 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.859 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -79.07 -34.52 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.755 -0.657 . . . . 0.28000000000000003 112.377 -174.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.0 mt -70.33 -37.31 74.67 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.783 -0.821 . . . . 0.33000000000000002 108.783 172.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.461 ' HD3' ' HB3' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -56.34 -37.83 70.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.301 -1.318 . . . . 1.6699999999999999 109.639 170.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HA ' ' CB ' ' A' ' 91' ' ' LYS . . . -72.04 -31.46 66.19 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.208 -0.905 . . . . 0.47999999999999998 112.578 -177.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.689 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -83.23 -55.92 4.07 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.764 -0.374 . . . . 0.56999999999999995 111.679 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.532 ' HB2' HG22 ' B' ' 12' ' ' VAL . 44.0 t-80 -86.63 -44.22 12.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.719 -0.392 . . . . 2.6800000000000002 111.809 -174.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.531 ' O ' HG22 ' A' ' 89' ' ' THR . 1.8 t80 -90.92 22.13 3.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.908 -0.404 . . . . 1.8 109.908 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.499 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 3.4 p80 -46.35 20.66 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 117.492 2.404 . . . . 3.2599999999999998 117.492 -173.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 87' ' ' TYR . 2.0 t -62.89 -45.53 92.08 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.21 0.914 . . . . 1.26 112.346 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -144.12 21.26 1.75 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.331 0.586 . . . . 3.4700000000000002 111.22 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.621 ' CB ' ' HA ' ' A' ' 84' ' ' ALA . 12.8 mmtp -106.67 4.33 27.72 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.067 -1.086 . . . . 3.4700000000000002 108.067 168.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.499 ' CB ' ' HB2' ' A' ' 88' ' ' HIS . 31.7 tt0 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 114.885 -1.052 . . . . 7.0899999999999999 109.45 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.037 -0.357 . . . . 6.4199999999999999 110.037 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 32.3 m -64.02 109.57 1.85 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.087 -0.506 . . . . 4.2599999999999998 110.501 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -96.78 -56.75 2.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.89 -0.781 . . . . 6.04 108.89 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.639 ' H ' HD23 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -99.84 126.79 46.0 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.466 -0.939 . . . . 4.5 108.466 172.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.527 ' OE1' ' HB2' ' B' ' 7' ' ' HIS . 0.5 OUTLIER -64.66 124.28 21.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.481 0.658 . . . . 3.1000000000000001 110.739 -171.089 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.8 -27.55 36.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.279 -0.873 . . . . 2.5099999999999998 111.274 -172.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.527 ' HB2' ' OE1' ' B' ' 5' ' ' GLU . 47.8 m80 -80.12 -50.63 10.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.86 -0.422 . . . . 2.1600000000000001 109.86 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.859 HD13 ' HB1' ' A' ' 81' ' ' ALA . 76.4 mt -53.52 -60.85 2.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.414 0.626 . . . . 0.34000000000000002 111.457 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -67.34 -22.6 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.054 -0.976 . . . . 2.4100000000000001 110.304 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.596 ' O ' HG12 ' B' ' 14' ' ' ILE . . . -71.85 -39.06 60.16 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.63 -0.714 . . . . 0.44 111.927 174.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 7' ' ' HIS . 80.2 mt -66.64 -44.83 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.81 -0.441 . . . . 1.1599999999999999 109.81 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 85' ' ' ALA . 39.4 t -50.07 -44.73 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 0.56999999999999995 110.938 169.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.94 -42.63 97.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.812 -0.631 . . . . 1.4199999999999999 110.976 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 10' ' ' GLY . 51.3 mm -65.47 -36.48 77.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.108 0.48 . . . . 2.0600000000000001 110.642 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.77 -31.75 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.577 . . . . 2.5800000000000001 110.314 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -85.74 -20.9 28.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.72 -0.673 . . . . 2.23 110.298 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.44 ' HB3' ' HA ' ' B' ' 14' ' ' ILE . 23.9 tp60 -79.93 -19.41 48.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 2.77 112.635 -171.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -49.03 -28.97 4.4 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.154 0.427 . . . . 6.25 112.154 -177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.3 m 72.15 166.96 0.31 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.293 0.637 . . . . 3.02 111.58 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 19.4 t 60.33 62.44 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.627 0.727 . . . . 4.1200000000000001 109.414 -175.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -73.7 93.06 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.408 -0.815 . . . . 7.2800000000000002 110.51 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -131.38 125.35 32.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.907 -0.588 . . . . 8.7100000000000009 110.457 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.47 -170.29 36.82 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.196 -0.761 . . . . 5.6799999999999997 111.196 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -91.81 -73.64 0.54 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.696 -0.483 . . . . 8.2699999999999996 109.696 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -97.25 -61.61 1.37 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.557 -0.905 . . . . 7.5 108.557 173.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -134.29 -49.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.357 -0.838 . . . . 5.6200000000000001 108.969 170.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.1 m 73.34 -81.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.037 -0.983 . . . . 3.9500000000000002 112.036 172.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 28' ' ' LEU . 3.5 mm? 50.29 85.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.289 0.566 . . . . 2.9100000000000001 111.188 -175.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -97.32 -171.68 2.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.382 -0.372 . . . . 1.3500000000000001 111.146 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.485 ' CD ' ' HE3' ' B' ' 51' ' ' LYS . 25.0 ttmt -65.85 -25.52 67.24 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.71 -0.396 . . . . 1.3200000000000001 110.728 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.08 -52.35 51.89 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.901 -0.666 . . . . 0.40000000000000002 112.684 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.57 -42.87 81.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.163 -0.519 . . . . 2.4300000000000002 111.146 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.545 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 21.1 tp -64.19 -45.82 86.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.436 -0.802 . . . . 0.52000000000000002 109.948 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' B' ' 54' ' ' ILE . 15.3 tptp -53.01 -45.67 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.378 0.671 . . . . 1.8700000000000001 110.767 176.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 54.5 tt0 -59.22 -60.94 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 2.4500000000000002 110.25 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.465 HD11 HG22 ' B' ' 14' ' ' ILE . 10.3 tt -53.86 -44.93 70.77 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 123.405 0.441 . . . . 0.45000000000000001 111.389 -177.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 97.9 mt -66.98 -50.25 62.87 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 112.415 0.524 . . . . 0.45000000000000001 112.415 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 13.0 t -64.69 -29.12 70.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 1.23 111.257 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' B' ' 35' ' ' GLN . 0.0 OUTLIER -96.96 -41.75 8.24 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.521 0.563 . . . . 1.6200000000000001 112.521 -178.449 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.436 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 17.8 mm-40 -91.6 -39.12 12.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 1.6699999999999999 111.441 -168.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -104.99 20.95 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.035 0.445 . . . . 1.4199999999999999 110.092 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.23 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.843 -1.071 . . . . 0.78000000000000003 113.17 -172.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.52 29.43 7.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.454 0.645 . . . . 2.1600000000000001 110.677 -174.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.1 m -118.18 -56.74 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.023 0.44 . . . . 0.66000000000000003 110.355 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 52.8 mt -89.78 136.51 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.935 -0.575 . . . . 0.59999999999999998 110.103 -178.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.463 ' HB3' ' C ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -57.2 125.95 25.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.488 -0.324 . . . . 1.6100000000000001 110.924 -179.614 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.479 ' HB2' HG21 ' B' ' 53' ' ' VAL . 0.9 OUTLIER 49.82 36.51 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.552 -0.749 . . . . 1.48 111.038 174.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 10.2 tp -63.22 -6.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 122.348 1.07 . . . . 0.56000000000000005 109.803 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' B' ' 47' ' ' ASN . 12.6 mmmm -85.53 -12.72 51.01 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.342 -1.299 . . . . 1.1100000000000001 109.63 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -91.03 129.54 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 1.5900000000000001 110.093 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -64.75 -21.21 66.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.051 -0.522 . . . . 0.92000000000000004 110.566 176.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -68.61 -35.28 77.11 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.59 0.709 . . . . 0.67000000000000004 109.243 175.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' B' ' 47' ' ' ASN . 25.1 t -81.09 -44.53 20.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.415 -1.266 . . . . 0.59999999999999998 109.6 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 34' ' ' LYS . 38.9 mt -59.39 -32.2 48.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.408 -0.814 . . . . 0.41999999999999998 110.625 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -67.33 -46.57 73.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.39 -0.823 . . . . 1.53 109.527 175.178 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 34.7 mm-40 -52.92 -45.43 67.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.181 -0.918 . . . . 1.77 110.916 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.572 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 1.7 mp -64.91 -60.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.807 176.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.441 ' CE1' HG13 ' B' ' 69' ' ' VAL . 90.1 t80 -57.67 -44.9 86.07 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.682 -0.69 . . . . 1.6699999999999999 111.009 -172.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.98 -25.0 63.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.042 -0.527 . . . . 1.9099999999999999 110.644 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.64 -25.34 75.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.772 -0.728 . . . . 0.53000000000000003 111.841 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -96.87 -48.55 5.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.024 -0.732 . . . . 0.58999999999999997 109.024 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.524 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 48.5 t0 -75.59 77.24 2.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.046 -0.979 . . . . 1.3999999999999999 110.182 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -19.22 61.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.392 -0.822 . . . . 1.3100000000000001 110.47 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -81.58 -20.51 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 2.7999999999999998 110.271 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 62.35 33.77 16.17 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 114.9 -1.045 . . . . 2.7200000000000002 111.379 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -102.4 2.08 36.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.302 0.572 . . . . 2.1400000000000001 110.333 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' CZ ' ' B' ' 58' ' ' PHE . 30.8 tt0 69.87 40.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.043 -0.981 . . . . 2.0099999999999998 111.113 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -144.61 117.67 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.681 -0.691 . . . . 2.1600000000000001 109.803 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.441 HG13 ' CE1' ' B' ' 58' ' ' PHE . 15.0 m -100.61 120.26 49.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.79 0.805 . . . . 1.8100000000000001 111.412 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.1 174.13 8.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.11 -0.95 . . . . 2.02 110.536 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -58.16 -33.92 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.87 -0.419 . . . . 2.1800000000000002 109.87 176.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.486 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 31.1 tt0 -66.84 -41.48 87.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.521 0.677 . . . . 1.6699999999999999 110.824 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.524 ' OE1' ' HA ' ' B' ' 62' ' ' ASP . 39.0 mt-10 -72.02 -38.4 69.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.698 -0.683 . . . . 1.99 110.199 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 77.3 t80 -63.19 -30.99 72.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.302 0.572 . . . . 1.9199999999999999 109.95 171.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.8 mt -63.73 -38.12 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.718 . . . . 0.67000000000000004 109.22 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.626 ' O ' HD13 ' B' ' 80' ' ' ILE . 50.4 m -66.24 -33.86 76.72 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.118 -0.946 . . . . 0.73999999999999999 110.221 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.533 HD23 ' CG2' ' B' ' 57' ' ' ILE . 1.2 tm? -59.2 -45.25 91.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.45 -0.574 . . . . 1.1399999999999999 109.45 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 15.8 t -65.83 -29.74 47.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.208 -0.451 . . . . 0.33000000000000002 109.955 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.57 -51.2 70.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.164 0.507 . . . . 0.42999999999999999 110.036 173.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.14 -35.4 61.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.35 -0.841 . . . . 0.40000000000000002 110.439 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.868 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -79.09 -34.49 43.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.726 -0.67 . . . . 0.28000000000000003 112.378 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 76.5 mt -70.47 -37.17 74.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.805 -0.813 . . . . 0.33000000000000002 108.805 172.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.482 ' HD3' ' HB3' ' B' ' 87' ' ' TYR . 0.1 OUTLIER -56.36 -37.82 70.58 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.38 -1.282 . . . . 1.6699999999999999 109.711 170.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.62 ' HA ' ' CB ' ' B' ' 91' ' ' LYS . . . -72.06 -31.76 66.44 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.173 -0.921 . . . . 0.47999999999999998 112.495 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.694 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -82.99 -56.14 3.97 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.734 -0.387 . . . . 0.56999999999999995 111.62 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.535 ' HB2' HG22 ' A' ' 12' ' ' VAL . 43.3 t-80 -86.31 -44.3 12.21 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.615 -0.434 . . . . 2.6800000000000002 111.768 -174.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.529 ' O ' HG22 ' B' ' 89' ' ' THR . 1.8 t80 -90.94 22.32 3.71 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.944 -0.391 . . . . 1.8 109.944 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.503 ' HB2' ' CB ' ' B' ' 92' ' ' GLU . 3.4 p80 -46.46 20.76 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 117.488 2.403 . . . . 3.27 117.488 -173.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.529 HG22 ' O ' ' B' ' 87' ' ' TYR . 2.1 t -63.11 -45.61 91.19 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.17 0.896 . . . . 1.27 112.399 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -143.92 21.03 1.79 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.533 0.682 . . . . 3.4700000000000002 111.221 175.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.62 ' CB ' ' HA ' ' B' ' 84' ' ' ALA . 12.8 mmtp -106.53 4.12 27.82 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.081 -1.081 . . . . 3.4700000000000002 108.081 168.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.503 ' CB ' ' HB2' ' B' ' 88' ' ' HIS . 31.9 tt0 . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.059 -0.973 . . . . 7.0800000000000001 109.488 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.725 -0.472 . . . . 6.4199999999999999 109.725 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -120.77 -83.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.979 -0.288 . . . . 4.25 111.401 -177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 74.5 mmtt -123.17 -77.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.703 -0.226 . . . . 6.0499999999999998 110.391 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 44.4 tp 162.99 -83.38 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.347 1.03 . . . . 4.5 109.381 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.64 -15.8 14.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.063 -0.517 . . . . 3.1000000000000001 112.184 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 14.5 tp10 -45.17 -40.15 6.87 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.321 0.489 . . . . 2.5099999999999998 112.321 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.3 m170 -68.63 -63.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.177 -0.327 . . . . 2.1600000000000001 110.89 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.843 HD13 ' HB1' ' B' ' 81' ' ' ALA . 57.3 mt -68.2 -59.74 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 0.34000000000000002 111.494 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -71.12 -20.97 62.26 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.489 -0.778 . . . . 2.4100000000000001 110.125 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -72.13 -33.75 61.95 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.795 -0.716 . . . . 0.44 112.132 174.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' HIS . 86.4 mt -70.53 -34.13 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.867 0.841 . . . . 1.1599999999999999 109.575 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' B' ' 85' ' ' ALA . 70.0 t -72.65 -26.65 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.282 -0.872 . . . . 0.56999999999999995 109.894 174.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.385 -0.825 . . . . 1.4199999999999999 110.774 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.8 pt -63.96 -32.98 59.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.182 0.515 . . . . 2.0600000000000001 110.169 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 90.6 t80 -57.86 -37.66 74.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.035 -0.984 . . . . 2.5699999999999998 110.281 174.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -85.52 -19.85 30.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 2.23 111.568 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -62.87 -52.85 61.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.732 0.271 . . . . 2.77 111.732 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.623 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 41.4 p90 -73.87 -38.4 64.43 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.66 -0.816 . . . . 6.25 111.168 -175.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.5 m -161.83 -161.16 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.082 -0.34 . . . . 3.0099999999999998 110.082 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t 74.93 80.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 121.526 0.679 . . . . 4.1299999999999999 110.943 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -121.6 121.36 37.25 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.634 -0.876 . . . . 7.2800000000000002 108.634 173.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -55.44 115.74 2.47 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.653 0.596 . . . . 8.6999999999999993 111.418 -173.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.83 -90.41 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.535 -0.757 . . . . 5.6699999999999999 111.582 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -128.9 112.86 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.48 0.181 . . . . 8.2699999999999996 110.525 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 69.94 165.24 0.27 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.931 0.769 . . . . 7.5 112.063 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.34 -158.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.39 -0.823 . . . . 5.6200000000000001 109.93 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 80.83 144.95 0.08 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.059 0.944 . . . . 3.9399999999999999 110.685 -176.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mm? -123.37 153.46 40.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.002 -0.544 . . . . 2.9100000000000001 109.772 -175.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 m -102.85 -179.29 3.92 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.524 -0.47 . . . . 1.3500000000000001 110.573 177.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HE3' ' CD2' ' A' ' 58' ' ' PHE . 3.2 ttmp? -61.34 -35.51 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.672 0.249 . . . . 1.3200000000000001 111.672 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.45 -41.18 93.17 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.333 -0.46 . . . . 0.40000000000000002 112.839 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.623 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 24.1 mm-40 -68.53 -41.91 79.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.385 0.612 . . . . 2.4399999999999999 110.454 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.635 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.4 tp -64.19 -49.61 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.012 -0.995 . . . . 0.52000000000000002 109.513 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 51.7 tttm -54.89 -41.52 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.331 -0.849 . . . . 1.8700000000000001 111.185 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -54.9 -61.76 2.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.183 -0.462 . . . . 2.46 110.252 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -53.96 -46.25 71.58 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.099 0.476 . . . . 0.45000000000000001 110.945 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 98.2 mt -60.31 -51.11 70.9 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.831 -0.622 . . . . 0.45000000000000001 112.357 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 49' ' ' LYS . 24.4 p -67.58 -27.06 66.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.186 -0.461 . . . . 1.23 112.01 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.95 -37.06 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.944 0.72 . . . . 1.6100000000000001 112.944 -177.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' B' ' 1' ' ' MET . 14.7 mm-40 -96.25 -47.07 6.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.104 0.478 . . . . 1.6699999999999999 111.119 -172.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 8' ' ' LEU . 13.9 mt -100.11 21.54 12.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.777 -0.647 . . . . 1.4199999999999999 110.022 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' CG2' ' A' ' 48' ' ' ILE . . . -53.46 -30.82 42.71 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 114.996 -1.002 . . . . 0.78000000000000003 112.78 -175.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -119.01 21.38 12.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.306 0.574 . . . . 2.1600000000000001 110.722 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.542 HG21 HD12 ' B' ' 8' ' ' LEU . 20.9 m -111.44 -60.84 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.968 0.413 . . . . 0.66000000000000003 110.242 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.487 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 64.4 mt -85.77 138.89 18.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.501 -0.772 . . . . 0.59999999999999998 110.006 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' O ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -53.29 126.99 22.99 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.336 0.398 . . . . 1.6100000000000001 110.606 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 44.05 42.34 4.75 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.831 0.707 . . . . 1.48 111.647 174.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.523 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 8.9 tp -62.7 -5.9 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 122.097 0.951 . . . . 0.55000000000000004 110.697 -178.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.4 OUTLIER -86.0 -11.65 52.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.049 -0.978 . . . . 1.1100000000000001 109.853 178.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 130.9 34.45 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.449 -0.796 . . . . 1.5800000000000001 111.186 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 23.7 tptm -66.13 -27.07 67.75 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.987 -1.006 . . . . 0.92000000000000004 110.231 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -72.22 -35.17 68.8 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.498 0.666 . . . . 0.67000000000000004 109.357 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 46' ' ' LYS . 41.4 t -72.61 -43.82 61.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.843 -1.071 . . . . 0.59999999999999998 109.296 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 51.7 mt -65.21 -35.32 75.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.766 -1.106 . . . . 0.41999999999999998 110.979 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 17.6 t70 -61.36 -52.61 63.92 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.427 -0.953 . . . . 1.53 108.427 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 27.6 mm-40 -46.85 -47.93 21.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.749 -1.114 . . . . 1.77 111.617 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.9 mt -68.54 -59.85 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.197 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.497 ' CD2' ' HE3' ' A' ' 30' ' ' LYS . 75.7 t80 -55.03 -44.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.724 -0.671 . . . . 1.6799999999999999 111.166 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -65.79 -28.16 68.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.773 -0.649 . . . . 1.9199999999999999 110.38 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.86 -25.37 71.9 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.53000000000000003 112.379 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -93.38 -39.86 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.446 -0.576 . . . . 0.57999999999999996 109.446 178.658 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -76.46 67.01 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 1.3999999999999999 110.001 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.2 60.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 1.3 110.734 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.76 -9.96 59.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 2.7999999999999998 110.723 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 61.07 43.49 11.23 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.012 -0.994 . . . . 2.7200000000000002 112.216 172.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.97 -3.9 28.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.292 -0.413 . . . . 2.1299999999999999 110.601 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' C ' ' HZ ' ' A' ' 58' ' ' PHE . 3.9 tp10 65.64 30.79 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.194 -0.912 . . . . 2.02 108.647 -174.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.58 10.11 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.746 -1.116 . . . . 2.1600000000000001 109.954 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.476 HG13 ' CE1' ' A' ' 58' ' ' PHE . 14.8 m -96.31 135.05 31.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.451 0.643 . . . . 1.8100000000000001 110.814 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -96.24 -171.42 2.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 2.02 110.315 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.99 -40.29 97.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 2.1699999999999999 110.927 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.478 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 46.1 tt0 -77.95 -32.06 51.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 1.6599999999999999 111.11 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 76' ' ' SER . 3.7 mm-40 -69.05 -34.67 75.55 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.918 -0.771 . . . . 1.99 108.918 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' A' ' 77' ' ' LEU . 56.4 t80 -64.77 -29.34 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.398 -0.819 . . . . 1.9199999999999999 109.872 172.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.543 ' CD1' ' HG3' ' B' ' 83' ' ' LYS . 1.0 OUTLIER -66.67 -37.86 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.585 -0.734 . . . . 0.67000000000000004 109.289 174.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.62 ' O ' HD13 ' A' ' 80' ' ' ILE . 66.7 m -62.35 -37.31 85.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.474 -0.784 . . . . 0.73999999999999999 109.942 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.626 HD22 HD11 ' A' ' 33' ' ' LEU . 7.4 tp -54.5 -46.98 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.118 0.485 . . . . 1.1499999999999999 110.478 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.59 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.8 t -64.52 -30.7 50.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.455 -0.793 . . . . 0.33000000000000002 109.965 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -60.76 -49.01 79.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.398 0.618 . . . . 0.42999999999999999 109.937 174.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.75 -40.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.06 -0.973 . . . . 0.40000000000000002 110.4 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.86 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.41 -33.41 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 0.28000000000000003 112.326 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.8 mt -69.12 -34.04 74.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.907 -0.775 . . . . 0.33000000000000002 108.907 173.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HG3' ' CD1' ' B' ' 75' ' ' ILE . 7.9 mttt -73.67 -19.65 60.77 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.024 -0.989 . . . . 1.6699999999999999 110.651 174.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 81' ' ' ALA . . . -72.04 -28.15 63.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.472 0.653 . . . . 0.47999999999999998 109.528 172.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.619 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -82.84 -56.11 4.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.387 -0.824 . . . . 0.56999999999999995 111.792 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.471 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 18.5 p80 -85.75 -44.6 12.37 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.48 -0.488 . . . . 2.6800000000000002 112.129 -175.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.45 ' C ' ' H ' ' A' ' 89' ' ' THR . 6.5 t80 -90.15 21.83 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.952 0.501 . . . . 1.8 109.745 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 4.0 p-80 -48.97 18.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.479 2.029 . . . . 3.2599999999999998 116.479 -173.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.45 ' H ' ' C ' ' A' ' 87' ' ' TYR . 3.8 t -68.58 -41.93 78.97 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.692 0.678 . . . . 1.26 111.276 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 97.0 m-70 -140.7 16.31 2.33 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.034 0.445 . . . . 3.4700000000000002 111.35 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 57.9 mttp -118.3 17.52 13.86 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.894 -0.78 . . . . 3.4700000000000002 108.894 171.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 88' ' ' HIS . 3.2 tm-20 . . . . . 0 C--O 1.248 0.974 0 CA-C-N 114.998 -1.001 . . . . 7.0899999999999999 108.922 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.427 ' HA ' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.701 -0.481 . . . . 6.4199999999999999 109.701 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.411 ' HB ' ' H ' ' B' ' 3' ' ' LYS . 1.2 m -120.94 -83.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.609 0.243 . . . . 4.2599999999999998 111.447 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' B' ' 4' ' ' LEU . 74.5 mmtt -123.36 -76.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.434 -0.21 . . . . 6.04 110.434 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' B' ' 3' ' ' LYS . 44.5 tp 162.89 -83.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.346 1.029 . . . . 4.5 109.278 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -15.59 14.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 3.1000000000000001 112.228 -175.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.477 ' O ' ' HA3' ' B' ' 10' ' ' GLY . 14.4 tp10 -45.32 -40.17 7.45 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.282 0.475 . . . . 2.5099999999999998 112.282 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.468 ' O ' HG13 ' B' ' 11' ' ' ILE . 40.4 m170 -68.71 -63.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.968 -0.293 . . . . 2.1600000000000001 110.851 -177.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.86 HD13 ' HB1' ' A' ' 81' ' ' ALA . 56.9 mt -68.36 -59.61 3.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.41 0.624 . . . . 0.34000000000000002 111.487 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.12 -21.08 62.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.433 -0.803 . . . . 2.4100000000000001 110.112 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.477 ' HA3' ' O ' ' B' ' 6' ' ' GLU . . . -72.04 -33.72 62.25 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.44 112.199 174.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 7' ' ' HIS . 86.3 mt -70.5 -34.1 56.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.883 0.849 . . . . 1.1599999999999999 109.563 174.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 85' ' ' ALA . 70.9 t -72.88 -26.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.226 -0.897 . . . . 0.56999999999999995 109.832 174.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 1.4199999999999999 110.723 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 25.6 pt -63.78 -33.04 59.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.234 0.54 . . . . 2.0600000000000001 110.199 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' B' ' 12' ' ' VAL . 90.6 t80 -57.92 -37.68 74.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.966 -1.015 . . . . 2.5800000000000001 110.215 174.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -85.36 -19.83 30.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 2.23 111.587 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -62.85 -52.79 61.76 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.876 0.325 . . . . 2.77 111.876 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.62 ' CE1' ' HB3' ' B' ' 32' ' ' GLU . 41.7 p90 -74.01 -38.53 64.06 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.619 -0.833 . . . . 6.25 111.122 -175.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -161.64 -161.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 3.02 110.118 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t 74.86 80.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.547 0.689 . . . . 4.1200000000000001 110.957 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -122.19 120.92 35.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.338 -0.846 . . . . 7.2800000000000002 108.787 173.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -55.02 115.25 2.11 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.62 0.575 . . . . 8.7100000000000009 111.673 -173.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.65 -91.07 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.359 -0.837 . . . . 5.6799999999999997 111.589 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -127.98 112.5 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.822 -0.222 . . . . 8.2699999999999996 110.657 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 70.14 164.98 0.27 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.541 0.686 . . . . 7.5 112.068 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.3 -157.95 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.427 -0.806 . . . . 5.6200000000000001 110.017 -177.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 80.79 144.95 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.035 0.934 . . . . 3.9500000000000002 110.728 -176.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.458 ' N ' HD22 ' B' ' 28' ' ' LEU . 2.6 mm? -123.46 153.32 40.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.591 . . . . 2.9100000000000001 109.82 -175.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -102.76 -179.5 3.98 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.504 -0.478 . . . . 1.3500000000000001 110.575 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.479 ' HE3' ' CD2' ' B' ' 58' ' ' PHE . 3.2 ttmp? -61.15 -35.63 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.723 0.268 . . . . 1.3200000000000001 111.723 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.2 -41.09 92.62 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.259 -0.496 . . . . 0.40000000000000002 113.018 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' CE1' ' B' ' 18' ' ' TYR . 26.5 mm-40 -68.76 -41.85 78.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.352 0.596 . . . . 2.4300000000000002 110.38 -177.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.646 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 36.5 tp -64.05 -49.79 70.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.078 -0.964 . . . . 0.52000000000000002 109.445 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.442 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 51.6 tttm -54.74 -41.38 70.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 1.8700000000000001 111.231 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -55.02 -61.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.497 . . . . 2.4500000000000002 110.261 175.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.404 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -53.91 -46.2 71.39 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.467 0.48 . . . . 0.45000000000000001 110.879 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 98.2 mt -60.41 -51.1 70.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.881 -0.6 . . . . 0.45000000000000001 112.276 -176.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.448 HG22 ' HA ' ' B' ' 49' ' ' LYS . 25.4 p -67.46 -27.12 66.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.197 -0.456 . . . . 1.23 112.049 -174.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 -36.7 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.922 0.712 . . . . 1.6200000000000001 112.922 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.424 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 15.3 mm-40 -96.35 -47.17 6.11 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.124 0.488 . . . . 1.6699999999999999 111.121 -172.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 8' ' ' LEU . 14.0 mt -100.13 21.45 12.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.781 -0.645 . . . . 1.4199999999999999 109.979 -173.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.514 ' HA ' ' CG2' ' B' ' 48' ' ' ILE . . . -53.35 -31.04 42.62 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.032 -0.986 . . . . 0.78000000000000003 112.8 -175.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -118.94 21.63 12.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.281 0.562 . . . . 2.1600000000000001 110.625 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.548 HG21 HD12 ' A' ' 8' ' ' LEU . 20.8 m -111.65 -60.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 0.66000000000000003 110.338 -179.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.486 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 64.0 mt -85.48 138.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.508 -0.769 . . . . 0.59999999999999998 110.081 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.479 ' O ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -53.05 126.76 21.71 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 123.292 0.37 . . . . 1.6100000000000001 110.656 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 44.2 42.59 5.18 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.999 0.812 . . . . 1.48 111.687 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.514 ' CG2' ' HA ' ' B' ' 42' ' ' ALA . 8.9 tp -63.11 -5.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 122.129 0.966 . . . . 0.56000000000000005 110.662 -177.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.448 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.4 OUTLIER -86.03 -11.52 52.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.876 -1.056 . . . . 1.1100000000000001 109.752 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.76 130.76 34.47 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.509 -0.768 . . . . 1.5900000000000001 111.134 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' B' ' 55' ' ' ASP . 23.7 tptm -66.11 -26.88 67.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.99 -1.004 . . . . 0.92000000000000004 110.225 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' B' ' 56' ' ' GLU . . . -72.63 -34.56 67.4 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.454 0.645 . . . . 0.67000000000000004 109.413 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.479 HG11 ' O ' ' B' ' 46' ' ' LYS . 41.0 t -73.0 -43.86 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.895 -1.048 . . . . 0.59999999999999998 109.211 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 51.5 mt -65.27 -35.4 75.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.624 -1.171 . . . . 0.41999999999999998 110.924 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' B' ' 51' ' ' LYS . 18.4 t70 -61.13 -52.81 63.31 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.394 -0.965 . . . . 1.53 108.394 177.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 52' ' ' ALA . 29.6 mm-40 -46.67 -47.98 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.645 -1.162 . . . . 1.77 111.615 175.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 65.5 mt -68.54 -59.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.139 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.479 ' CD2' ' HE3' ' B' ' 30' ' ' LYS . 76.4 t80 -55.21 -44.7 75.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.652 -0.704 . . . . 1.6699999999999999 111.119 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -65.85 -28.15 68.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 1.9099999999999999 110.426 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.85 -25.2 72.37 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.53000000000000003 112.45 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 57' ' ' ILE . 0.3 OUTLIER -93.76 -39.57 10.68 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.403 -0.591 . . . . 0.58999999999999997 109.403 178.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -76.66 66.86 2.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.687 0.756 . . . . 1.3999999999999999 109.934 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.42 -23.52 61.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.73 . . . . 1.3100000000000001 110.658 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -9.41 59.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.612 -0.722 . . . . 2.7999999999999998 110.725 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 60.62 43.59 12.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.013 -0.994 . . . . 2.7200000000000002 112.217 172.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.03 -4.0 28.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 2.1400000000000001 110.646 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.411 ' C ' ' HZ ' ' B' ' 58' ' ' PHE . 3.9 tp10 65.91 30.49 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.606 -0.887 . . . . 2.0099999999999998 108.606 -174.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -143.45 118.4 10.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.736 -1.12 . . . . 2.1600000000000001 109.984 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.474 HG13 ' CE1' ' B' ' 58' ' ' PHE . 14.7 m -96.17 134.97 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.4 0.619 . . . . 1.8100000000000001 110.889 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -95.98 -171.38 2.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.488 -0.778 . . . . 2.02 110.404 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.22 -40.12 96.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.139 0.495 . . . . 2.1800000000000002 110.851 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.491 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 45.8 tt0 -78.0 -32.31 51.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.032 -0.531 . . . . 1.6699999999999999 111.104 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.908 -0.775 . . . . 1.99 108.908 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' B' ' 77' ' ' LEU . 56.6 t80 -64.72 -29.33 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 1.9199999999999999 109.88 172.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -66.62 -37.91 80.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.67000000000000004 109.276 174.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.617 ' O ' HD13 ' B' ' 80' ' ' ILE . 68.9 m -62.39 -37.35 85.43 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.393 -0.822 . . . . 0.73999999999999999 109.876 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.636 HD22 HD11 ' B' ' 33' ' ' LEU . 7.4 tp -54.57 -46.8 73.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.025 0.441 . . . . 1.1399999999999999 110.407 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.588 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 11.0 t -64.62 -30.83 51.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 115.561 -0.745 . . . . 0.33000000000000002 109.832 -177.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -60.7 -49.04 79.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.419 0.628 . . . . 0.42999999999999999 109.886 174.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.617 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.81 -40.03 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.11 -0.95 . . . . 0.40000000000000002 110.357 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.843 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.32 -33.59 55.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.889 -0.596 . . . . 0.28000000000000003 112.286 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.08 -34.06 74.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.722 0.772 . . . . 0.33000000000000002 108.928 173.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.543 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 7.7 mttt -73.54 -19.81 60.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.967 -1.015 . . . . 1.6699999999999999 110.63 173.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 81' ' ' ALA . . . -71.79 -28.55 63.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.516 0.674 . . . . 0.47999999999999998 109.55 172.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.623 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -82.68 -56.1 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.405 -0.816 . . . . 0.56999999999999995 111.683 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.475 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 17.9 p80 -85.68 -44.56 12.46 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.492 -0.483 . . . . 2.6800000000000002 112.176 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.463 ' C ' ' H ' ' B' ' 89' ' ' THR . 6.4 t80 -90.11 21.6 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.91 0.484 . . . . 1.8 109.738 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -48.66 18.73 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.677 2.103 . . . . 3.27 116.677 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.463 ' H ' ' C ' ' B' ' 87' ' ' TYR . 3.6 t -68.25 -42.43 79.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 118.709 0.686 . . . . 1.27 111.15 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' B' ' 46' ' ' LYS . 96.9 m-70 -139.89 15.11 2.48 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.823 0.344 . . . . 3.4700000000000002 111.427 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' B' ' 45' ' ' ILE . 58.1 mttp -117.71 17.73 14.29 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.956 -0.757 . . . . 3.4700000000000002 108.956 171.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-N 114.996 -1.002 . . . . 7.0800000000000001 109.0 178.24 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.636 0.255 . . . . 6.4199999999999999 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.424 HG21 ' HA ' ' B' ' 40' ' ' GLU . 10.8 t -148.47 165.16 32.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.959 0.409 . . . . 4.25 110.013 178.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -121.39 -55.31 1.95 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.992 -0.549 . . . . 6.0499999999999998 110.02 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.5 tp -165.29 -63.57 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.76 -0.654 . . . . 4.5 109.648 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -147.11 3.33 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.825 -0.625 . . . . 3.1000000000000001 110.854 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.11 -35.97 49.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.406 0.682 . . . . 2.5099999999999998 112.423 -173.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.493 ' O ' HG13 ' A' ' 11' ' ' ILE . 17.7 m170 -70.13 -62.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.0 -0.437 . . . . 2.1600000000000001 110.855 -177.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.895 HD13 ' HB1' ' B' ' 81' ' ' ALA . 37.2 mt -66.59 -58.14 5.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.117 0.484 . . . . 0.34000000000000002 111.586 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.37 -26.24 67.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.683 -0.689 . . . . 2.4100000000000001 110.084 -175.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.25 -34.67 54.46 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.202 -0.523 . . . . 0.44 112.633 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 7' ' ' HIS . 83.7 mt -70.32 -37.1 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.853 0.835 . . . . 1.1599999999999999 109.34 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' B' ' 85' ' ' ALA . 68.4 t -69.66 -26.64 31.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.288 -0.869 . . . . 0.56999999999999995 110.116 174.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.42 -41.82 72.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.421 -0.808 . . . . 1.4199999999999999 110.862 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.439 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 26.2 pt -69.85 -31.38 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.57 -0.452 . . . . 2.0600000000000001 110.677 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' HA ' ' CE2' ' A' ' 18' ' ' TYR . 42.1 t80 -59.31 -48.47 81.51 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.083 -0.71 . . . . 2.5699999999999998 109.083 170.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 59.4 t60 -62.81 -23.5 67.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.857 -1.065 . . . . 2.23 110.704 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 6.1 tp-100 -66.91 -57.7 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 2.77 111.039 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.478 ' CE2' ' HA ' ' A' ' 15' ' ' PHE . 28.7 p90 -76.79 -0.99 25.9 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.114 -0.634 . . . . 6.25 111.451 -178.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.413 ' HA ' HD21 ' A' ' 28' ' ' LEU . 71.7 m -85.88 52.17 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.917 0.389 . . . . 3.0099999999999998 110.706 176.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t 69.35 -72.58 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.403 -0.817 . . . . 4.1299999999999999 111.246 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.5 -52.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.059 -0.348 . . . . 7.2800000000000002 110.059 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 62.4 tttp -148.57 -48.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.834 0.309 . . . . 8.6999999999999993 111.834 -177.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.22 -51.32 59.17 Favored Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.034 -0.53 . . . . 5.6699999999999999 114.266 -171.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 57.82 69.86 0.7 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.465 0.65 . . . . 8.2699999999999996 109.382 -172.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -73.37 -41.94 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.713 -0.676 . . . . 7.5 109.95 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.12 148.07 48.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.274 -0.875 . . . . 5.6200000000000001 108.854 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.434 ' CG2' ' HB3' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -82.04 142.33 32.43 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.549 -0.908 . . . . 3.9399999999999999 108.549 175.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -87.8 164.32 16.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.382 0.61 . . . . 2.9100000000000001 112.171 -164.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 p -97.7 -172.05 2.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.906 -1.043 . . . . 1.3500000000000001 111.526 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.608 ' HD2' ' HE3' ' A' ' 51' ' ' LYS . 16.4 ttmt -58.19 -36.75 73.55 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.027 0.38 . . . . 1.3200000000000001 112.027 -173.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.07 -40.69 91.8 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.011 -0.614 . . . . 0.40000000000000002 113.134 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.07 -36.72 64.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.123 0.487 . . . . 2.4399999999999999 110.817 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 30.1 tp -67.51 -44.07 79.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 0.52000000000000002 108.998 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.3 70.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.874 -1.057 . . . . 1.8700000000000001 110.484 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.4 tt0 -55.76 -60.11 3.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.76 -0.655 . . . . 2.46 110.193 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.7 tt -53.23 -46.42 69.11 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.061 0.458 . . . . 0.45000000000000001 111.07 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 92.1 mt -65.5 -48.22 73.31 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.237 0.458 . . . . 0.45000000000000001 112.237 -174.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 49' ' ' LYS . 35.9 p -68.14 -28.48 67.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.492 -0.322 . . . . 1.23 111.841 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 17.2 ptmt -97.08 -35.84 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.654 0.613 . . . . 1.6100000000000001 112.654 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HG2' ' HG3' ' A' ' 39' ' ' LYS . 5.5 mm-40 -98.07 -38.02 9.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.791 0.329 . . . . 1.6699999999999999 111.733 -169.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.78 24.14 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.568 -0.53 . . . . 1.4199999999999999 109.568 -177.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . -52.8 -29.75 29.37 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.059 -0.973 . . . . 0.78000000000000003 113.341 -173.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.0 31.93 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.144 0.497 . . . . 2.1600000000000001 111.224 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -118.98 -66.45 1.07 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.332 0.587 . . . . 0.66000000000000003 110.222 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 48' ' ' ILE . 40.1 mt -76.94 132.74 32.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.237 -0.892 . . . . 0.59999999999999998 109.95 -177.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HB3' ' CA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -54.17 126.75 24.09 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.269 0.356 . . . . 1.6100000000000001 110.732 -178.324 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 46.56 42.38 11.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.409 -0.814 . . . . 1.48 111.671 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 9.0 tp -62.63 -7.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.044 0.926 . . . . 0.55000000000000004 110.38 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.7 OUTLIER -84.51 -13.47 51.83 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.944 -1.025 . . . . 1.1100000000000001 109.97 178.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.63 131.41 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.567 -0.742 . . . . 1.5800000000000001 111.355 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.608 ' HE3' ' HD2' ' A' ' 30' ' ' LYS . 22.3 tptm -64.59 -29.18 70.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.667 -1.151 . . . . 0.92000000000000004 110.632 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.1 -33.02 73.74 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.636 0.731 . . . . 0.67000000000000004 109.36 177.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 57' ' ' ILE . 41.6 t -76.82 -47.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.639 -1.164 . . . . 0.59999999999999998 109.521 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 34' ' ' LYS . 58.5 mt -60.63 -43.29 94.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.106 -0.952 . . . . 0.41999999999999998 111.896 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 13.7 t70 -60.96 -49.95 75.37 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.927 -0.579 . . . . 1.53 109.834 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.29 -46.22 24.81 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.41 -0.814 . . . . 1.77 111.331 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 53' ' ' VAL . 55.6 mt -72.43 -57.47 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.13 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 t80 -54.83 -44.84 74.26 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.795 -0.639 . . . . 1.6799999999999999 111.06 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -63.47 -29.43 70.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.01 -0.541 . . . . 1.9199999999999999 110.331 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.77 -31.57 76.15 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.796 -0.716 . . . . 0.53000000000000003 112.623 174.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -89.55 -38.87 13.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.87 -0.418 . . . . 0.57999999999999996 109.87 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.2 72.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.31 -0.859 . . . . 1.3999999999999999 110.186 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.01 70.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.947 -1.024 . . . . 1.3 111.468 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -74.27 -16.17 60.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 2.7999999999999998 110.939 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 64.25 28.15 13.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.21 -0.904 . . . . 2.7200000000000002 111.61 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -98.69 4.93 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 2.1299999999999999 109.853 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 62.69 50.51 3.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.981 -1.008 . . . . 2.02 109.53 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.434 ' HB3' ' CG2' ' A' ' 27' ' ' THR . 96.9 mt-30 -137.91 119.6 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.5 -0.773 . . . . 2.1600000000000001 110.445 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.88 116.52 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.371 0.605 . . . . 1.8100000000000001 111.097 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.06 171.63 12.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 2.02 110.572 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -54.73 -43.64 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.437 . . . . 2.1699999999999999 110.734 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.529 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 30.4 tt0 -69.29 -35.58 76.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.635 0.731 . . . . 1.6599999999999999 110.629 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -77.0 -29.67 55.56 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.447 -0.797 . . . . 1.99 109.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' A' ' 78' ' ' VAL . 83.8 t80 -68.38 -29.5 68.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.219 -0.66 . . . . 1.9199999999999999 109.219 169.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.529 ' HB ' ' O ' ' A' ' 72' ' ' GLN . 1.5 mt -64.79 -36.95 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.84 . . . . 0.67000000000000004 108.731 173.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.64 ' O ' HD13 ' A' ' 80' ' ' ILE . 32.2 m -66.71 -36.56 82.77 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.224 -0.898 . . . . 0.73999999999999999 109.754 174.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.9 tm? -57.53 -45.14 85.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.705 -0.48 . . . . 1.1499999999999999 109.705 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 74' ' ' PHE . 11.3 t -66.56 -30.26 49.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-N 116.182 -0.463 . . . . 0.33000000000000002 109.868 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 76' ' ' SER . . . -61.39 -49.21 77.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.333 0.587 . . . . 0.42999999999999999 110.114 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.64 HD13 ' O ' ' A' ' 76' ' ' SER . 1.6 mp -60.08 -36.41 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.387 -0.824 . . . . 0.40000000000000002 110.271 176.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.887 ' HB1' HD13 ' B' ' 8' ' ' LEU . . . -77.31 -35.83 54.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.887 -0.597 . . . . 0.28000000000000003 111.991 -176.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 96.5 mt -69.49 -31.98 70.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.849 0.833 . . . . 0.33000000000000002 109.03 173.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HG2' ' NE2' ' A' ' 86' ' ' HIS . 8.7 mttt -75.25 -20.33 59.26 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.038 -0.983 . . . . 1.6699999999999999 110.563 173.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.452 ' HA ' ' CB ' ' A' ' 91' ' ' LYS . . . -69.57 -31.76 70.12 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.502 0.668 . . . . 0.47999999999999998 109.533 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB3' HG21 ' B' ' 12' ' ' VAL . . . -80.01 -57.15 3.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.511 -0.768 . . . . 0.56999999999999995 111.554 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' NE2' ' HG2' ' A' ' 83' ' ' LYS . 3.2 p80 -82.33 -44.18 16.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.438 -0.505 . . . . 2.6800000000000002 111.673 -175.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.504 ' C ' ' H ' ' A' ' 89' ' ' THR . 16.0 t80 -88.94 22.6 2.65 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 123.098 0.559 . . . . 1.8 109.812 -177.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.568 ' HB2' ' HB3' ' A' ' 92' ' ' GLU . 8.7 p-80 -48.54 18.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.798 1.777 . . . . 3.2599999999999998 115.798 -176.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.504 ' H ' ' C ' ' A' ' 87' ' ' TYR . 5.0 t -74.64 -38.95 62.36 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.524 -0.735 . . . . 1.26 110.778 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -141.37 9.04 2.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.94 0.4 . . . . 3.4700000000000002 111.556 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.494 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 68.3 mttm -113.17 11.44 18.81 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.112 -0.699 . . . . 3.4700000000000002 109.112 171.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.568 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.246 0.872 0 N-CA-C 108.1 -1.074 . . . . 7.0899999999999999 108.1 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.783 0.325 . . . . 6.4199999999999999 110.615 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.403 HG21 ' HA ' ' A' ' 40' ' ' GLU . 10.9 t -148.64 164.98 32.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.954 0.407 . . . . 4.2599999999999998 110.011 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -121.29 -55.16 1.96 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.99 -0.55 . . . . 6.04 110.018 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 31.6 tp -165.45 -63.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.725 -0.671 . . . . 4.5 109.584 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -147.2 3.88 0.8 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.804 -0.635 . . . . 3.1000000000000001 110.792 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.66 -35.93 55.98 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.752 -0.658 . . . . 2.5099999999999998 112.436 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.49 ' O ' HG13 ' B' ' 11' ' ' ILE . 17.7 m170 -70.16 -61.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.114 -0.366 . . . . 2.1600000000000001 110.876 -177.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.887 HD13 ' HB1' ' A' ' 81' ' ' ALA . 36.9 mt -66.73 -57.96 6.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.064 0.459 . . . . 0.34000000000000002 111.57 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.42 -26.19 67.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.799 -0.637 . . . . 2.4100000000000001 110.1 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -34.76 53.86 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.16 -0.543 . . . . 0.44 112.654 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 7' ' ' HIS . 83.5 mt -70.12 -37.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.842 0.829 . . . . 1.1599999999999999 109.352 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 85' ' ' ALA . 69.4 t -69.82 -26.4 30.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.269 -0.878 . . . . 0.56999999999999995 110.12 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -70.67 -41.53 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.485 -0.78 . . . . 1.4199999999999999 110.867 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' B' ' 17' ' ' GLN . 26.3 pt -70.07 -31.4 47.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 120.564 -0.454 . . . . 2.0600000000000001 110.664 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' B' ' 18' ' ' TYR . 42.4 t80 -59.21 -48.5 81.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.147 -0.686 . . . . 2.5800000000000001 109.147 170.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' B' ' 22' ' ' LYS . 58.9 t60 -62.82 -23.04 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.864 -1.062 . . . . 2.23 110.744 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' B' ' 14' ' ' ILE . 6.1 tp-100 -67.35 -57.52 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 2.77 111.062 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' B' ' 15' ' ' PHE . 28.4 p90 -77.02 -0.85 26.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.182 -0.607 . . . . 6.25 111.554 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.407 ' HA ' HD21 ' B' ' 28' ' ' LEU . 71.0 m -86.02 52.1 2.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 3.02 110.726 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t 69.32 -72.74 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.382 -0.826 . . . . 4.1200000000000001 111.17 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -165.45 -52.91 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.125 -0.324 . . . . 7.2800000000000002 110.125 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.528 ' HA ' ' CE1' ' B' ' 16' ' ' HIS . 62.4 tttp -148.53 -48.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.87 0.322 . . . . 8.7100000000000009 111.87 -177.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.65 -50.61 65.43 Favored Glycine 0 N--CA 1.453 -0.213 0 CA-C-N 116.014 -0.539 . . . . 5.6799999999999997 114.39 -171.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 57.39 69.94 0.7 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.346 0.593 . . . . 8.2699999999999996 109.435 -172.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -73.52 -41.77 62.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.624 . . . . 7.5 110.046 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.1 147.71 48.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.227 -0.897 . . . . 5.6200000000000001 108.957 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' B' ' 68' ' ' GLN . 0.6 OUTLIER -81.82 141.92 33.03 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.647 -0.871 . . . . 3.9500000000000002 108.647 175.412 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.432 ' N ' HD22 ' B' ' 28' ' ' LEU . 2.7 mm? -87.63 164.25 16.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.423 0.63 . . . . 2.9100000000000001 112.168 -164.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -97.34 -172.04 2.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.006 -0.997 . . . . 1.3500000000000001 111.603 -176.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.603 ' HD2' ' HE3' ' B' ' 51' ' ' LYS . 16.3 ttmt -58.23 -36.51 73.28 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.102 0.408 . . . . 1.3200000000000001 112.102 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.42 -40.44 92.14 Favored Glycine 0 C--N 1.329 0.154 0 C-N-CA 120.869 -0.681 . . . . 0.40000000000000002 113.139 -177.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.99 -36.62 64.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.085 0.469 . . . . 2.4300000000000002 110.913 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 30.2 tp -67.44 -44.19 79.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.909 -0.775 . . . . 0.52000000000000002 108.909 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' B' ' 54' ' ' ILE . 78.1 tttt -54.21 -43.27 70.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.812 -1.086 . . . . 1.8700000000000001 110.509 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' B' ' 39' ' ' LYS . 33.1 tt0 -55.54 -60.11 3.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.758 -0.655 . . . . 2.4500000000000002 110.203 175.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.405 HD23 ' C ' ' B' ' 36' ' ' LEU . 7.7 tt -53.35 -46.59 69.58 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.115 0.483 . . . . 0.45000000000000001 110.923 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 33' ' ' LEU . 92.7 mt -65.35 -48.23 73.72 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 112.34 0.496 . . . . 0.45000000000000001 112.34 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.544 HG22 ' HA ' ' B' ' 49' ' ' LYS . 35.7 p -68.09 -28.47 67.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.475 -0.33 . . . . 1.23 111.796 -175.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.459 ' HG3' ' HG2' ' B' ' 40' ' ' GLU . 17.3 ptmt -97.11 -35.71 10.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.705 0.631 . . . . 1.6200000000000001 112.705 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.459 ' HG2' ' HG3' ' B' ' 39' ' ' LYS . 5.6 mm-40 -98.08 -38.31 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.674 0.273 . . . . 1.6699999999999999 111.623 -169.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.7 24.25 13.3 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.571 -0.529 . . . . 1.4199999999999999 109.571 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' B' ' 38' ' ' THR . . . -52.63 -30.25 30.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.081 -0.963 . . . . 0.78000000000000003 113.373 -173.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -121.65 31.94 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.208 0.528 . . . . 2.1600000000000001 111.153 -173.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.4 m -119.14 -66.32 1.08 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.297 0.57 . . . . 0.66000000000000003 110.125 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' B' ' 48' ' ' ILE . 40.8 mt -76.9 133.05 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.296 -0.865 . . . . 0.59999999999999998 109.881 -177.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.449 ' HB3' ' CA ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -54.35 126.37 22.97 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.168 0.292 . . . . 1.6100000000000001 110.725 -178.435 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 46.7 42.36 11.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.995 0.809 . . . . 1.48 111.615 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' B' ' 45' ' ' ILE . 9.0 tp -62.53 -6.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.979 0.895 . . . . 0.56000000000000005 110.421 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' B' ' 38' ' ' THR . 0.7 OUTLIER -84.5 -13.77 50.98 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.965 -1.016 . . . . 1.1100000000000001 109.962 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.33 130.94 35.0 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.568 -0.742 . . . . 1.5900000000000001 111.401 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.603 ' HE3' ' HD2' ' B' ' 30' ' ' LYS . 22.3 tptm -64.42 -28.96 70.04 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.724 -1.125 . . . . 0.92000000000000004 110.72 178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.42 74.62 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.47 0.652 . . . . 0.67000000000000004 109.341 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.538 ' O ' HG13 ' B' ' 57' ' ' ILE . 41.5 t -76.57 -47.88 28.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.536 -1.211 . . . . 0.59999999999999998 109.504 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.48 ' CD1' ' HG3' ' B' ' 34' ' ' LYS . 58.5 mt -60.72 -43.43 95.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 0.41999999999999998 111.86 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' B' ' 30' ' ' LYS . 16.1 t70 -60.9 -49.79 76.05 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 116.058 -0.519 . . . . 1.53 109.726 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -47.3 -46.5 25.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.355 -0.838 . . . . 1.77 111.287 175.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 53' ' ' VAL . 55.3 mt -72.4 -57.22 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.155 -177.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.95 -44.69 74.56 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.843 -0.617 . . . . 1.6699999999999999 111.129 -177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -63.59 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.025 -0.534 . . . . 1.9099999999999999 110.364 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.86 -31.11 74.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.856 -0.688 . . . . 0.53000000000000003 112.503 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' B' ' 77' ' ' LEU . 0.1 OUTLIER -90.02 -38.8 13.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.083 0.441 . . . . 0.58999999999999997 109.811 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.4 73.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.922 0.867 . . . . 1.3999999999999999 110.143 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.02 -31.86 69.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 1.3100000000000001 111.539 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -74.01 -17.0 61.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.141 -0.482 . . . . 2.7999999999999998 110.884 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 64.83 27.97 12.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.304 -0.862 . . . . 2.7200000000000002 111.542 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -98.74 4.96 47.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 2.1400000000000001 109.784 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 62.74 50.48 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.944 -1.025 . . . . 2.0099999999999998 109.596 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.441 ' HB3' ' CG2' ' B' ' 27' ' ' THR . 97.0 mt-30 -138.08 119.25 14.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 2.1600000000000001 110.421 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.43 116.47 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 1.8100000000000001 111.194 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.06 171.68 12.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 2.02 110.648 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -54.75 -43.69 72.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.988 0.423 . . . . 2.1800000000000002 110.715 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.52 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 30.8 tt0 -69.15 -35.73 76.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.784 0.802 . . . . 1.6699999999999999 110.583 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.93 -29.71 55.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.325 -0.852 . . . . 1.99 109.879 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.571 ' O ' HG23 ' B' ' 78' ' ' VAL . 83.9 t80 -68.33 -29.66 68.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.18 -0.674 . . . . 1.9199999999999999 109.18 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.52 ' HB ' ' O ' ' B' ' 72' ' ' GLN . 1.5 mt -64.59 -37.2 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.679 -0.86 . . . . 0.67000000000000004 108.679 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.633 ' O ' HD13 ' B' ' 80' ' ' ILE . 35.1 m -66.66 -36.33 82.28 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.191 -0.913 . . . . 0.73999999999999999 109.848 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 74' ' ' PHE . 1.9 tm? -57.65 -45.13 85.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.708 -0.479 . . . . 1.1399999999999999 109.708 175.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 74' ' ' PHE . 11.5 t -66.65 -30.13 48.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 N-CA-C 109.774 -0.454 . . . . 0.33000000000000002 109.774 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 76' ' ' SER . . . -61.48 -49.08 78.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 0.42999999999999999 110.073 175.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 76' ' ' SER . 1.6 mp -60.16 -36.51 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.382 -0.827 . . . . 0.40000000000000002 110.295 176.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.895 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -77.18 -35.92 55.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.849 -0.614 . . . . 0.28000000000000003 111.986 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 78' ' ' VAL . 96.7 mt -69.42 -32.04 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.803 0.811 . . . . 0.33000000000000002 109.015 173.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.598 ' HG2' ' NE2' ' B' ' 86' ' ' HIS . 8.8 mttt -75.37 -20.18 59.12 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.059 -0.973 . . . . 1.6699999999999999 110.631 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.451 ' HA ' ' CB ' ' B' ' 91' ' ' LYS . . . -69.56 -31.85 70.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.262 0.553 . . . . 0.47999999999999998 109.603 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.601 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -79.9 -57.12 3.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.587 -0.733 . . . . 0.56999999999999995 111.501 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.598 ' NE2' ' HG2' ' B' ' 83' ' ' LYS . 2.9 p80 -82.22 -44.09 16.8 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.943 -0.473 . . . . 2.6800000000000002 111.771 -175.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.506 ' C ' ' H ' ' B' ' 89' ' ' THR . 16.5 t80 -89.21 22.56 2.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 123.208 0.603 . . . . 1.8 109.884 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.567 ' HB2' ' HB3' ' B' ' 92' ' ' GLU . 8.7 p-80 -48.47 18.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.792 1.775 . . . . 3.27 115.792 -177.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.506 ' H ' ' C ' ' B' ' 87' ' ' TYR . 5.0 t -75.01 -38.37 61.56 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.39 -0.819 . . . . 1.27 110.913 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -142.0 9.5 1.92 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 3.4700000000000002 111.52 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.507 ' HD2' ' HB3' ' B' ' 83' ' ' LYS . 68.3 mttm -113.53 11.74 18.42 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.087 -0.709 . . . . 3.4700000000000002 109.087 171.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.567 ' HB3' ' HB2' ' B' ' 88' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.861 0 CA-C-N 114.926 -1.033 . . . . 7.0800000000000001 108.352 177.789 . . . . . . . . 2 2 . 1 stop_ save_