data_2lxb_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 2lxb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.599 ' HE3' ' O ' ' B' ' 24' ' ' GLU . 14.6 pttm . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 112.195 0.443 . . . . 1.68 112.195 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -61.13 -56.99 14.46 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.014 0.435 . . . . 2.11 110.978 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -57.73 -44.39 85.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.526 -0.761 . . . . 1.68 110.903 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 12' ' ' ILE . 39.0 mm -64.03 -47.82 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 1.68 110.765 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.33 -41.63 72.69 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 111.763 0.283 . . . . 1.02 111.763 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.92 92.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.058 0.456 . . . . 1.19 110.769 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.52 -41.27 98.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.849 -0.614 . . . . 2.28 109.38 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.459 HG12 HG12 ' B' ' 12' ' ' ILE . 74.8 mt -59.8 -56.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.136 -0.938 . . . . 1.12 112.19 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.31 -37.39 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.725 -0.39 . . . . 1.02 111.173 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.81 -33.25 74.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.894 0.378 . . . . 0.67 110.451 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' O ' HG12 ' A' ' 19' ' ' ILE . 79.4 t80 -65.25 -50.02 67.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 2.29 110.514 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' HB2' ' SD ' ' A' ' 37' ' ' MET . 28.8 m-85 -65.2 -33.78 76.81 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.992 -0.283 . . . . 1.79 110.729 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -62.94 -31.89 73.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 1.48 110.033 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.473 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 16.9 t -76.56 -38.59 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 1.3 110.21 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 15' ' ' TYR . 46.2 mm -62.08 -43.96 98.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.256 -0.429 . . . . 1.1 111.01 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -75.89 -28.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.678 0.275 . . . . 1.09 110.495 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.68 -54.57 45.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.416 0.627 . . . . 2.49 110.339 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 48.3 mttm -82.1 -3.51 54.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.277 -0.874 . . . . 1.94 110.782 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 56.94 41.67 27.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.964 -1.016 . . . . 2.4 111.458 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.602 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 30.9 mt-10 -75.71 -3.99 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 1.83 111.003 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.8 150.91 35.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 1.05 110.049 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -56.57 150.63 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.73 110.464 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.42 -27.71 69.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.97 -0.559 . . . . 1.87 111.643 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.71 -46.08 69.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.202 0.525 . . . . 1.85 109.635 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.64 -37.59 93.73 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.499 -0.773 . . . . 0.36 111.562 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.8 79.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.544 0.212 . . . . 1.08 111.232 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.38 -45.75 90.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.46 110.472 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 m -61.63 -34.14 75.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 1.52 110.842 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.92 -40.47 72.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 1.07 110.829 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -59.83 -48.54 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.23 111.132 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.0 m -70.54 -29.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.857 -0.337 . . . . 1.08 110.513 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.19 -52.72 61.18 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.469 -0.332 . . . . 0.98 110.26 175.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.407 ' SD ' ' HB2' ' A' ' 16' ' ' PHE . 73.8 mtm -58.28 -36.83 73.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.801 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.21 -44.32 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.899 -0.592 . . . . 1.68 110.778 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.1 m -69.42 -34.59 74.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.934 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 36' ' ' ALA . 92.6 mt -64.59 -49.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.127 0.489 . . . . 1.04 109.993 176.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.594 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 17.8 m -64.04 -34.62 78.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.492 -0.776 . . . . 1.73 110.379 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.42 -42.71 99.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.705 . . . . 2.23 110.947 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.73 65.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 0.91 112.159 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.04 -7.74 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.156 0.503 . . . . 2.01 111.852 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.25 57.29 6.94 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.691 -0.686 . . . . 0.43 113.2 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 24.1 p90 -142.07 169.83 16.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.051 0.425 . . . . 2.2 110.532 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.5 152.77 19.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.045 -0.525 . . . . 1.92 109.631 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.06 -16.98 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 3.21 109.897 -172.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -93.44 -4.78 50.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 2.23 110.734 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.27 -0.96 57.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.053 -0.521 . . . . 1.25 110.617 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.82 -36.94 11.9 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 CA-C-N 115.345 -0.843 . . . . 1.08 112.542 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 p -55.47 -56.5 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 1.62 111.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.14 -41.76 61.27 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.698 -0.683 . . . . 0.63 113.45 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.4 mt -75.67 -43.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 1.24 111.297 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 116.425 -0.352 . . . . 1.19 111.042 179.569 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.602 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 14.6 pttm . . . . . 0 CA--C 1.527 0.074 0 N-CA-C 112.176 0.436 . . . . 1.69 112.176 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.33 -56.92 15.01 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.968 0.413 . . . . 2.11 110.994 173.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -57.9 -44.25 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.538 -0.755 . . . . 1.68 110.78 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.417 ' O ' HG13 ' B' ' 12' ' ' ILE . 38.9 mm -64.06 -47.85 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.601 -0.727 . . . . 1.67 110.767 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.41 -41.43 72.72 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 111.746 0.276 . . . . 1.02 111.746 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.79 93.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.136 0.493 . . . . 1.18 110.758 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.649 . . . . 2.28 109.376 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.459 HG12 HG12 ' A' ' 12' ' ' ILE . 74.5 mt -59.91 -56.21 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.156 -0.929 . . . . 1.12 112.14 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.22 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.831 -0.348 . . . . 1.02 111.137 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.91 -33.16 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.68 110.481 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.428 ' O ' HG12 ' B' ' 19' ' ' ILE . 79.3 t80 -65.36 -49.91 67.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 2.29 110.541 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.402 ' HB2' ' SD ' ' B' ' 37' ' ' MET . 28.9 m-85 -65.22 -33.81 76.88 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.957 -0.297 . . . . 1.79 110.731 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -62.92 -31.63 72.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 1.48 110.063 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.472 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 15.0 t -76.98 -38.48 53.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 1.29 110.112 177.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 15' ' ' TYR . 46.0 mm -61.99 -44.12 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 1.09 110.936 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.83 -28.57 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.511 -0.313 . . . . 1.09 110.487 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.67 -54.49 46.46 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.278 0.561 . . . . 2.49 110.356 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.472 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 48.6 mttm -82.39 -3.3 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.434 -0.803 . . . . 1.94 110.68 -176.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 57.05 41.71 27.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.96 -1.018 . . . . 2.4 111.409 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.599 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 30.7 mt-10 -75.81 -3.82 37.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 1.84 110.985 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.94 150.88 35.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.987 -0.375 . . . . 1.05 109.987 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -56.6 150.49 15.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.73 110.455 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.31 -27.8 69.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.96 -0.564 . . . . 1.87 111.644 -174.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.89 -45.79 70.03 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.682 -0.488 . . . . 1.84 109.682 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.46 93.56 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.36 111.615 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.59 -42.91 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.517 0.198 . . . . 1.08 111.123 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.31 -45.74 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 1.47 110.555 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -34.37 75.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 1.52 110.833 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.99 -40.41 71.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.737 0.303 . . . . 1.07 110.789 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -59.83 -48.61 80.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.23 111.087 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 m -70.45 -29.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 1.08 110.539 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.457 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.43 -52.62 60.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.463 -0.335 . . . . 0.98 110.169 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' MET . . . . . 0.402 ' SD ' ' HB2' ' B' ' 16' ' ' PHE . 73.9 mtm -58.37 -36.77 73.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.05 110.811 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.44 -43.99 97.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.953 -0.567 . . . . 1.68 110.772 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.0 m -69.65 -34.47 74.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.232 -0.44 . . . . 1.01 110.894 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 36' ' ' ALA . 93.3 mt -64.68 -49.08 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.165 0.507 . . . . 1.04 109.939 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.599 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -64.08 -34.75 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.559 -0.746 . . . . 1.73 110.444 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.42 -42.38 99.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.23 110.847 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -51.45 65.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.877 -0.601 . . . . 0.91 112.036 -176.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -91.26 -7.78 50.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 2.0 111.694 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.08 57.47 6.92 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.43 113.228 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 24.0 p90 -142.12 169.95 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.914 0.357 . . . . 2.2 110.448 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.44 152.91 19.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.955 -0.566 . . . . 1.92 109.557 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.04 -17.43 55.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.218 0.532 . . . . 3.21 109.978 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -93.22 -4.77 51.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.633 -0.712 . . . . 2.24 110.609 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 -0.85 57.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.036 0.446 . . . . 1.25 110.527 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.93 -36.93 12.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 115.409 -0.814 . . . . 1.08 112.628 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.298 . . . . 1.61 111.218 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.03 -41.79 60.25 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.692 -0.685 . . . . 0.63 113.288 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 53.5 mt -75.6 -43.31 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.003 0.43 . . . . 1.24 111.287 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 116.45 -0.341 . . . . 1.19 110.915 179.601 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.536 0.208 . . . . 1.68 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.42 -48.53 80.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.279 0.561 . . . . 2.11 110.02 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 1.68 110.569 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.37 -50.07 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 1.68 110.274 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.75 72.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 1.02 111.531 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.09 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.101 0.477 . . . . 1.19 110.542 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.66 -42.12 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.601 -0.727 . . . . 2.28 109.657 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.17 -55.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.019 -0.991 . . . . 1.12 112.303 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.78 -35.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.673 -0.411 . . . . 1.02 111.087 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -61.4 -31.51 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.67 110.456 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -68.55 -47.68 66.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 2.29 110.726 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -65.9 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.796 -0.362 . . . . 1.79 110.696 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -60.78 -34.62 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.128 0.49 . . . . 1.48 109.982 174.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.524 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.8 t -72.54 -45.75 57.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 1.3 110.34 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -59.16 -44.8 92.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.408 -0.36 . . . . 1.1 111.431 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.57 -33.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.583 -0.28 . . . . 1.09 110.98 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.79 -48.52 78.77 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.962 0.41 . . . . 2.49 110.409 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.524 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.9 mttm -76.13 -6.12 49.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 1.94 110.808 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.13 41.83 31.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.964 -1.017 . . . . 2.4 111.571 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.6 -4.87 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.701 -0.682 . . . . 1.83 111.258 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.138 -0.319 . . . . 1.05 110.138 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -58.28 155.68 11.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.644 -0.707 . . . . 1.73 111.725 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.3 -42.85 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.729 0.3 . . . . 1.87 111.704 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.21 -42.77 96.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 1.85 110.084 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -43.43 91.37 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.737 -0.744 . . . . 0.36 111.858 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.42 75.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.668 0.27 . . . . 1.08 111.592 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.11 -39.84 83.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 1.46 110.744 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 m -65.07 -30.69 71.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 1.52 111.07 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.11 -35.49 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 1.07 110.472 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -61.75 -52.07 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.23 110.796 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.2 -31.51 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.972 -0.291 . . . . 1.08 110.447 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.34 -52.14 64.83 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.317 -0.402 . . . . 0.98 110.275 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mtm -56.33 -43.64 79.22 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.388 -0.369 . . . . 1.05 111.898 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.763 -0.199 . . . . 1.68 111.525 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -67.13 -39.96 86.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 1.0 110.62 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 36' ' ' ALA . 74.2 mt -65.88 -44.8 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.395 0.617 . . . . 1.04 109.965 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 29.7 t -55.4 -53.15 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.979 -1.01 . . . . 1.73 110.802 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.11 -38.53 86.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 2.23 111.099 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.92 52.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.433 . . . . 0.91 111.927 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.401 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 96.6 m-85 -89.4 -8.52 52.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.131 0.419 . . . . 2.01 112.131 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.83 48.78 32.31 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.43 113.048 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 14.7 p90 -137.53 160.75 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.852 -0.425 . . . . 2.2 109.852 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.7 153.99 19.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.261 -0.274 . . . . 1.92 110.261 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.2 -24.23 40.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 3.21 110.032 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.42 -14.67 39.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 2.23 110.745 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.98 0.9 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 1.25 111.037 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 18.3 m -50.54 -43.88 24.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.568 -0.742 . . . . 1.08 112.497 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 p -59.75 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 1.62 110.964 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.59 94.22 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.88 -0.6 . . . . 0.63 112.52 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.2 mt -69.24 -49.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.843 0.354 . . . . 1.24 110.719 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 85.9 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 1.19 111.509 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 120.614 0.245 . . . . 1.69 111.346 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.21 -48.65 80.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.313 0.578 . . . . 2.11 109.962 172.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.09 -40.05 94.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.253 -0.885 . . . . 1.68 110.626 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.26 -50.05 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 1.67 110.252 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.73 72.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 1.02 111.511 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.05 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.186 0.517 . . . . 1.18 110.521 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.61 -42.15 87.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 2.28 109.598 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.29 -55.57 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.98 -1.009 . . . . 1.12 112.266 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.68 -35.52 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.684 -0.407 . . . . 1.02 111.077 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -61.31 -31.72 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.68 110.436 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -68.37 -47.61 66.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.351 -0.386 . . . . 2.29 110.744 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -65.86 -34.73 78.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.836 -0.346 . . . . 1.79 110.809 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.129 0.49 . . . . 1.48 109.978 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.515 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 22.6 t -72.87 -45.44 58.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 1.29 110.36 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.51 -44.77 93.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.331 -0.395 . . . . 1.09 111.371 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.43 -33.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.068 -0.253 . . . . 1.09 110.856 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.46 -48.66 78.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 2.49 110.502 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.515 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.8 mttm -76.02 -6.12 49.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 1.94 110.745 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.09 42.3 31.65 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 114.849 -1.069 . . . . 2.4 111.457 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.84 -5.2 52.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 1.84 111.299 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.82 147.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.149 -0.315 . . . . 1.05 110.149 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -58.32 155.83 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.655 -0.702 . . . . 1.73 111.736 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.4 -42.84 70.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.766 0.317 . . . . 1.87 111.559 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.02 -43.14 96.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 1.84 110.08 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.6 91.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.873 -0.679 . . . . 0.36 111.886 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.56 -48.28 75.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.388 0.275 . . . . 1.08 111.616 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.26 -39.88 84.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.858 0.361 . . . . 1.47 110.694 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.8 m -64.84 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 1.52 110.957 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.18 -35.15 61.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 1.07 110.491 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -62.03 -52.07 65.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 0.23 110.869 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.21 -31.41 53.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 1.08 110.545 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.452 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.44 -52.03 65.16 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.319 -0.401 . . . . 0.98 110.317 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.41 -43.47 79.38 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.378 -0.374 . . . . 1.05 111.774 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.2 -37.72 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.52 0.192 . . . . 1.68 111.52 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 72.7 m -66.76 -40.03 88.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.855 0.36 . . . . 1.01 110.671 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 36' ' ' ALA . 74.1 mt -65.83 -44.8 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.404 0.621 . . . . 1.04 110.018 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 29.3 t -55.56 -53.35 57.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.972 -1.013 . . . . 1.73 110.643 177.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.78 -38.62 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 2.23 111.112 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.94 -53.78 53.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.91 111.822 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.404 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 96.5 m-85 -89.44 -8.74 52.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.222 0.453 . . . . 2.0 112.222 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.35 48.29 31.48 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 116.052 -0.522 . . . . 0.43 113.224 176.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 14.8 p90 -137.36 160.59 38.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 2.2 109.918 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -90.64 153.83 20.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.756 0.313 . . . . 1.92 110.176 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -80.06 -24.07 40.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 3.21 110.026 -173.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -87.55 -14.76 39.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 2.24 110.762 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.65 0.63 46.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 1.25 111.031 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.554 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 18.1 m -50.44 -43.89 23.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.476 -0.784 . . . . 1.08 112.503 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -59.73 -48.35 82.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 1.61 111.012 -178.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.82 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.728 -0.669 . . . . 0.63 112.533 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.14 -49.58 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.838 0.352 . . . . 1.24 110.613 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 1.19 111.496 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 10.7 ptpp? . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.933 0.397 . . . . 1.68 110.175 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.44 -41.03 85.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.591 -0.731 . . . . 2.11 110.533 175.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.99 -41.53 82.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.026 -0.534 . . . . 1.68 110.746 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.431 HD12 ' HH ' ' B' ' 15' ' ' TYR . 64.0 mt -68.77 -43.0 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.184 -0.462 . . . . 1.68 110.417 177.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.53 67.86 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.475 -0.33 . . . . 1.02 110.908 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.23 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 1.19 110.612 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.59 -40.22 82.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.208 0.528 . . . . 2.28 110.809 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.18 -53.14 49.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.245 -0.889 . . . . 1.12 111.96 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.42 -30.94 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.586 -0.446 . . . . 1.02 110.548 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.42 -40.37 86.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.206 0.527 . . . . 0.67 110.129 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.442 ' HH ' HD12 ' B' ' 8' ' ' ILE . 48.7 t80 -61.17 -55.23 34.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.514 -0.766 . . . . 2.29 110.878 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.82 -34.6 78.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.394 -0.367 . . . . 1.79 111.013 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.9 m -61.59 -42.13 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 1.48 110.334 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -66.88 -42.13 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 1.3 110.326 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 15' ' ' TYR . 37.2 mm -60.84 -47.6 92.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.059 -0.519 . . . . 1.1 111.42 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.77 -32.42 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 121.102 -0.239 . . . . 1.09 111.407 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.38 -44.42 97.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.02 0.438 . . . . 2.49 110.778 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 88.7 mttt -83.59 -6.35 59.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 1.94 110.438 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HZ2' ' CD ' ' A' ' 27' ' ' GLU . 37.2 mtpt 55.43 42.61 29.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.927 -1.033 . . . . 2.4 111.286 -176.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HG2' ' HB2' ' A' ' 22' ' ' LYS . 13.5 mm-40 -70.94 -9.42 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 1.83 110.714 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.7 tt -124.99 149.89 29.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.282 -0.636 . . . . 1.05 109.282 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -60.71 162.19 6.95 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.194 0.309 . . . . 1.73 111.76 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CD ' ' HZ2' ' A' ' 23' ' ' LYS . 22.6 mm-40 -49.77 -54.22 20.38 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.76 -0.655 . . . . 1.87 112.397 -172.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.58 -43.18 99.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.85 110.997 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.05 98.15 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.933 -0.651 . . . . 0.36 111.982 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.04 75.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 1.08 111.393 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.22 -38.48 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 1.46 110.681 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -65.55 -30.87 71.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 1.52 110.253 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.42 -36.55 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 1.07 110.499 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -59.18 -50.53 73.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.23 110.904 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -31.95 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.52 -0.309 . . . . 1.08 110.431 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.16 -48.31 78.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.98 110.562 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.17 -43.64 82.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 1.05 111.889 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.32 -29.88 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.853 -0.339 . . . . 1.68 110.761 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.34 -38.23 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 1.0 109.977 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 36' ' ' ALA . 80.0 mt -63.64 -40.18 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 1.04 109.368 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -64.53 -41.79 96.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.155 -0.929 . . . . 1.73 110.259 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.18 -21.96 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.913 -0.585 . . . . 2.23 110.957 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.59 23.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.91 111.895 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.409 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 86.3 m-85 -106.62 -12.77 15.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.807 0.669 . . . . 2.01 112.807 -173.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.44 57.03 5.76 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.222 -0.513 . . . . 0.43 112.777 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 6.3 p90 -147.28 164.58 32.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.757 0.278 . . . . 2.2 110.505 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.69 157.93 16.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.288 -0.414 . . . . 1.92 110.022 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -79.82 -13.08 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 3.21 110.272 -176.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.32 -20.76 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 2.23 110.531 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.82 -3.84 49.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 1.25 111.027 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.639 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.4 m -47.04 -48.14 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 115.525 -0.761 . . . . 1.08 112.692 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 p -60.47 -44.74 95.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 1.62 111.217 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.76 -42.64 91.67 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.63 112.537 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.44 -49.79 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.071 0.462 . . . . 1.24 110.703 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 81.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.565 -0.743 . . . . 1.19 111.896 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.423 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 10.7 ptpp? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.888 0.375 . . . . 1.69 110.146 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.47 -40.92 85.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.627 -0.715 . . . . 2.11 110.505 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.36 -41.3 80.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 1.68 110.687 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.442 HD12 ' HH ' ' A' ' 15' ' ' TYR . 64.5 mt -68.87 -42.92 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.195 -0.457 . . . . 1.67 110.426 177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.59 67.88 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.527 -0.306 . . . . 1.02 110.886 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.27 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 1.18 110.687 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.56 -40.3 82.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.166 0.507 . . . . 2.28 110.764 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.21 -53.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.26 -0.882 . . . . 1.12 112.008 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.46 -30.74 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.651 -0.419 . . . . 1.02 110.632 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -59.57 -40.39 87.19 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.187 0.518 . . . . 0.68 110.018 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.431 ' HH ' HD12 ' A' ' 8' ' ' ILE . 48.5 t80 -61.22 -55.22 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.424 -0.807 . . . . 2.29 110.836 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -63.71 -34.75 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 1.79 111.035 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 66.5 m -61.72 -41.66 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 1.48 110.334 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -67.31 -42.08 84.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 1.29 110.299 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.41 HG12 ' O ' ' B' ' 15' ' ' TYR . 36.9 mm -60.89 -47.44 93.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.132 -0.485 . . . . 1.09 111.425 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.72 -32.56 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.218 -0.193 . . . . 1.09 111.374 -177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.5 -44.12 97.65 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.073 0.463 . . . . 2.49 110.737 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.461 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 88.6 mttt -83.76 -6.52 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.309 0.576 . . . . 1.94 110.542 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.422 ' HZ2' ' CD ' ' B' ' 27' ' ' GLU . 37.0 mtpt 55.65 42.59 29.29 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 114.781 -1.1 . . . . 2.4 111.282 -176.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.461 ' HG2' ' HB2' ' B' ' 22' ' ' LYS . 13.1 mm-40 -71.06 -9.46 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.691 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.67 150.18 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.337 -0.616 . . . . 1.05 109.337 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.8 t -60.92 162.12 7.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.733 0.301 . . . . 1.73 111.675 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.422 ' CD ' ' HZ2' ' B' ' 23' ' ' LYS . 21.4 mm-40 -49.56 -54.62 17.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.628 -0.714 . . . . 1.87 112.332 -172.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.28 -43.64 98.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 1.84 110.793 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.01 98.38 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.733 -0.667 . . . . 0.36 112.097 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.14 76.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.704 0.288 . . . . 1.08 111.267 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.97 -38.65 91.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.871 0.367 . . . . 1.47 110.614 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.8 t -65.18 -31.01 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.969 -0.559 . . . . 1.52 110.379 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.45 -36.59 63.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 1.07 110.488 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.17 -50.5 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.23 110.972 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.31 -31.92 53.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.754 0.311 . . . . 1.08 110.584 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.22 -48.25 79.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.226 -0.443 . . . . 0.98 110.546 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.11 -43.72 82.55 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.162 -0.472 . . . . 1.05 111.885 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.61 -29.6 68.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 1.68 110.624 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.34 -38.47 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.213 0.53 . . . . 1.01 109.956 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 36' ' ' ALA . 78.9 mt -63.59 -40.18 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.438 0.637 . . . . 1.04 109.361 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.9 m -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 1.73 110.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.92 -22.4 66.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.943 -0.571 . . . . 2.23 110.977 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.25 -41.69 24.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.91 111.805 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.404 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 86.0 m-85 -106.77 -12.52 15.5 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.757 0.651 . . . . 2.0 112.757 -173.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.43 56.72 5.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.257 -0.496 . . . . 0.43 112.838 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 6.3 p90 -147.19 164.37 33.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.888 0.344 . . . . 2.2 110.441 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -101.46 157.86 16.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 1.92 110.001 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.442 ' HD3' ' N ' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -79.79 -12.72 59.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.068 0.461 . . . . 3.21 110.409 -176.538 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -92.7 -20.5 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 2.24 110.501 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.0 -3.73 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 1.25 110.97 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.641 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.3 m -47.11 -48.04 8.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.568 -0.742 . . . . 1.08 112.704 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -60.73 -44.81 96.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.673 0.273 . . . . 1.61 111.261 -175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -42.34 90.97 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.987 -0.551 . . . . 0.63 112.594 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -72.75 -49.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.982 0.42 . . . . 1.24 110.685 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 81.9 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.662 -0.699 . . . . 1.19 111.938 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' B' ' 24' ' ' GLU . 19.0 pttp . . . . . 0 C--O 1.227 -0.115 0 N-CA-C 112.278 0.473 . . . . 1.68 112.278 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.91 -50.59 70.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 2.11 110.525 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.16 -35.66 81.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.533 -0.758 . . . . 1.68 111.278 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.453 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 18.6 mt -69.46 -43.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.741 -0.384 . . . . 1.68 110.724 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.9 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 1.02 111.006 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.25 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 1.19 110.652 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.56 -44.33 96.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.342 0.592 . . . . 2.28 109.479 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.414 HG12 HG12 ' B' ' 12' ' ' ILE . 89.7 mt -59.69 -53.05 53.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.957 -1.02 . . . . 1.12 112.04 -177.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.67 -35.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.517 -0.473 . . . . 1.02 110.795 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -59.09 -42.8 91.31 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.083 0.468 . . . . 0.67 110.442 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.492 ' O ' HG12 ' A' ' 19' ' ' ILE . 74.6 t80 -63.61 -50.15 70.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.772 -0.649 . . . . 2.29 110.767 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -65.02 -35.57 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.788 -0.365 . . . . 1.79 111.034 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 m -61.02 -40.22 92.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.937 -0.394 . . . . 1.48 109.937 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.6 t -66.97 -42.11 85.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 1.3 110.112 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 15' ' ' TYR . 42.3 mm -60.9 -47.96 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 1.1 111.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.65 -36.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.076 -0.25 . . . . 1.09 111.398 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.24 -43.92 96.7 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.905 0.383 . . . . 2.49 110.794 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -85.33 -1.36 56.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.264 0.554 . . . . 1.94 110.903 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 55.38 46.35 23.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.789 -1.096 . . . . 2.4 111.784 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -80.71 -3.46 50.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.77 -0.65 . . . . 1.83 110.568 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.8 tt -132.06 149.14 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.914 -0.585 . . . . 1.05 109.512 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -61.16 161.85 8.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 1.73 112.081 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -49.67 -57.05 7.96 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.29 0.848 . . . . 1.87 113.29 -172.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.56 -37.55 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 1.85 110.525 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -60.62 -47.09 92.89 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.758 -0.734 . . . . 0.36 111.557 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.22 82.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.671 0.272 . . . . 1.08 111.371 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.67 -39.82 92.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.851 0.358 . . . . 1.46 110.736 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 m -64.31 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 1.52 110.718 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 93.8 mt -76.13 -33.84 59.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.554 -0.294 . . . . 1.07 110.591 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.07 -49.82 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.23 110.659 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.2 m -68.79 -28.42 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 1.08 110.552 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.474 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -65.14 -53.29 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.98 110.511 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.07 -37.54 74.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.369 -0.378 . . . . 1.05 110.997 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.1 -46.33 85.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 1.68 110.676 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.77 -34.88 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.132 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 36' ' ' ALA . 91.9 mt -65.1 -49.16 80.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.141 0.496 . . . . 1.04 110.383 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.616 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 18.6 m -62.22 -40.43 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 1.73 110.471 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.54 -36.73 84.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 2.23 111.098 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.03 62.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.519 -0.31 . . . . 0.91 111.698 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.79 -5.78 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 2.01 111.434 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.13 9.81 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.43 113.19 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.616 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 21.5 p90 -141.46 170.0 16.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.017 0.408 . . . . 2.2 110.797 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -103.1 155.52 18.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 1.92 110.132 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -80.64 -14.98 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.156 0.503 . . . . 3.21 110.14 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.39 -8.07 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.864 -0.607 . . . . 2.23 110.608 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.56 -3.64 57.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 1.25 110.866 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.486 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.7 m -54.28 -41.08 50.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 112.828 0.677 . . . . 1.08 112.828 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 t -61.76 -50.97 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.372 . . . . 1.62 110.44 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.47 72.49 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.775 -0.648 . . . . 0.63 112.994 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -74.06 -53.84 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 1.24 111.015 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 90.2 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.469 -0.787 . . . . 1.19 113.074 -175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.231 0.087 0 N-CA-C 112.344 0.498 . . . . 1.69 112.344 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.86 -50.39 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.206 0.527 . . . . 2.11 110.61 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.06 -35.71 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.433 -0.803 . . . . 1.68 111.348 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.404 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 18.6 mt -69.41 -43.46 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.67 -0.412 . . . . 1.67 110.7 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.66 -39.0 70.33 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.767 0.318 . . . . 1.02 111.028 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.35 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 1.18 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.46 -44.28 96.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.314 0.578 . . . . 2.28 109.494 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.414 HG12 HG12 ' A' ' 12' ' ' ILE . 89.1 mt -59.75 -52.94 55.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.945 -1.025 . . . . 1.12 112.07 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.73 -35.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.568 -0.453 . . . . 1.02 110.836 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -59.0 -42.75 90.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.68 110.397 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.498 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.6 t80 -63.78 -50.12 70.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 2.29 110.692 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -64.91 -35.56 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.824 -0.351 . . . . 1.79 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.5 m -60.98 -40.44 93.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.888 -0.412 . . . . 1.48 109.888 176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -66.72 -42.16 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 1.29 110.161 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.498 HG12 ' O ' ' B' ' 15' ' ' TYR . 42.4 mm -61.02 -47.89 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 1.09 111.308 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -74.81 -36.17 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.114 -0.235 . . . . 1.09 111.466 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.77 -43.36 96.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.984 0.421 . . . . 2.49 110.903 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -85.65 -1.42 57.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.129 0.49 . . . . 1.94 110.742 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.61 45.68 24.3 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.042 -0.981 . . . . 2.4 112.001 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.429 ' O ' ' HE2' ' A' ' 5' ' ' LYS . 43.4 mm-40 -80.16 -3.76 50.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.734 -0.666 . . . . 1.84 110.662 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 tt -131.64 149.25 32.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.818 -0.628 . . . . 1.05 109.504 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -61.44 162.12 8.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.168 0.433 . . . . 1.73 112.168 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -49.84 -57.17 7.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.25 0.833 . . . . 1.87 113.25 -171.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.48 -37.72 88.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.034 0.445 . . . . 1.84 110.435 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.402 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -60.33 -47.46 90.97 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.702 -0.761 . . . . 0.36 111.509 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.14 82.31 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.426 0.29 . . . . 1.08 111.446 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.55 -40.13 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.899 0.38 . . . . 1.47 110.643 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -64.15 -31.02 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 1.52 110.686 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 93.7 mt -75.96 -33.87 59.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.533 -0.303 . . . . 1.07 110.526 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -61.19 -49.57 76.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.403 -0.362 . . . . 0.23 110.735 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.92 -28.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 1.08 110.562 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -65.27 -53.4 44.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.98 110.366 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -57.97 -37.5 74.31 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.374 -0.376 . . . . 1.05 110.905 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.32 -46.15 86.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.565 -0.743 . . . . 1.68 110.701 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.71 -34.99 70.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 1.01 111.173 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 36' ' ' ALA . 91.7 mt -65.0 -49.14 81.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.131 0.491 . . . . 1.04 110.325 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.615 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -62.23 -40.45 96.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.572 -0.74 . . . . 1.73 110.552 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.39 -37.1 85.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.986 -0.552 . . . . 2.23 110.997 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -52.7 64.41 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.844 0.313 . . . . 0.91 111.844 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -91.31 -5.43 54.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 2.0 111.48 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.58 55.34 10.04 Favored Glycine 0 C--N 1.332 0.333 0 CA-C-N 115.461 -0.79 . . . . 0.43 113.163 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.615 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 21.3 p90 -141.77 169.76 16.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.92 0.36 . . . . 2.2 110.793 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -102.98 155.54 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.92 109.955 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -80.58 -15.17 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.056 0.455 . . . . 3.21 110.075 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.56 -7.24 55.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.966 -0.561 . . . . 2.24 110.736 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 -3.5 56.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.002 -0.544 . . . . 1.25 110.823 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 27.5 m -54.56 -41.44 54.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 115.762 -0.654 . . . . 1.08 112.764 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -61.14 -51.18 70.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 1.61 110.412 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.51 -38.89 72.25 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.903 -0.59 . . . . 0.63 113.188 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.33 -53.75 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.931 0.396 . . . . 1.24 111.106 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 89.9 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.348 -0.842 . . . . 1.19 112.991 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.537 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 17.9 pttp . . . . . 0 CA--C 1.522 -0.096 0 N-CA-C 113.042 0.756 . . . . 1.68 113.042 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.29 -43.48 86.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.69 0.281 . . . . 2.11 110.724 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.29 -50.91 69.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.293 0.568 . . . . 1.68 110.3 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.415 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 mm -65.54 -45.56 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.397 -0.82 . . . . 1.68 110.856 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.36 71.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.687 0.28 . . . . 1.02 111.416 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 1.19 110.491 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.12 -40.21 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.856 -0.611 . . . . 2.28 109.734 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.439 HG12 HG12 ' B' ' 12' ' ' ILE . 74.3 mt -62.02 -54.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 1.12 112.196 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.8 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 1.02 110.986 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.05 -37.35 76.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.185 0.517 . . . . 0.67 110.312 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.521 ' OH ' ' HA ' ' B' ' 5' ' ' LYS . 83.6 t80 -63.48 -51.85 63.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 2.29 110.616 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.39 -35.29 80.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.559 -0.292 . . . . 1.79 110.71 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -60.9 -35.51 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.12 0.486 . . . . 1.48 110.026 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 48.6 m -73.93 -41.14 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 1.3 110.974 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.9 mm -63.05 -44.02 99.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.45 -0.341 . . . . 1.1 111.1 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -74.22 -31.63 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.684 -0.235 . . . . 1.09 110.957 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.49 -50.92 72.0 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.333 0.587 . . . . 2.49 110.633 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 18' ' ' SER . 46.1 mttm -86.37 -3.2 58.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 1.94 110.968 -174.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.95 45.22 29.25 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.667 -1.152 . . . . 2.4 112.197 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.05 9.09 15.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.83 110.568 177.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.15 151.24 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 1.05 109.253 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -54.2 140.41 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 1.73 110.168 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.95 -27.43 69.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.932 -0.576 . . . . 1.87 112.02 -170.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.79 -46.6 78.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.282 0.563 . . . . 1.85 109.506 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.32 -34.8 86.38 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.339 -0.846 . . . . 0.36 111.81 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.93 83.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.709 0.29 . . . . 1.08 110.981 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.88 -37.53 84.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 1.46 110.352 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -65.59 -33.03 74.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.802 -0.636 . . . . 1.52 110.26 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.32 -34.6 65.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 1.07 110.468 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -60.22 -51.53 69.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.23 110.794 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.2 -28.65 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 1.08 110.763 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.99 -49.8 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.274 -0.421 . . . . 0.98 110.329 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.8 -37.64 76.79 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.118 -0.492 . . . . 1.05 111.647 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -41.63 99.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 1.68 111.055 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.64 -34.78 78.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.441 . . . . 1.0 110.405 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.7 mt -69.02 -47.07 77.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.524 . . . . 1.04 110.709 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.499 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 11.7 p -65.56 -37.43 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 1.73 111.011 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.01 -37.53 85.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 2.23 110.802 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -51.62 53.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.91 112.038 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 84.6 m-85 -94.62 -7.39 41.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.152 0.427 . . . . 2.01 112.152 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.75 30.11 Favored Glycine 0 C--O 1.229 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.43 113.066 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 14.9 p90 -135.28 165.01 26.42 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.642 -0.328 . . . . 2.2 110.554 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.98 149.51 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 1.92 110.032 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -20.73 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.008 0.432 . . . . 3.21 110.402 -173.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.01 -7.43 45.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 2.23 110.785 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.5 1.53 57.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.108 -0.496 . . . . 1.25 110.574 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.83 -36.59 15.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 115.455 -0.793 . . . . 1.08 112.755 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -61.86 -46.96 87.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.311 . . . . 1.62 110.776 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -39.42 83.78 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.861 -0.609 . . . . 0.63 112.825 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.29 -54.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.727 0.298 . . . . 1.24 111.069 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 1.19 111.807 -176.206 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.521 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 17.9 pttp . . . . . 0 CA--C 1.523 -0.08 0 N-CA-C 113.036 0.754 . . . . 1.69 113.036 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.17 -43.58 86.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.811 0.338 . . . . 2.11 110.724 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.18 -50.9 69.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.239 0.542 . . . . 1.68 110.394 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.412 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.6 mm -65.57 -45.45 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.84 . . . . 1.67 110.779 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.28 71.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.669 0.271 . . . . 1.02 111.432 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 1.18 110.464 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.865 -0.607 . . . . 2.28 109.697 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.439 HG12 HG12 ' A' ' 12' ' ' ILE . 74.4 mt -62.01 -54.84 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.145 -0.934 . . . . 1.12 112.17 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.8 -35.31 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.568 -0.453 . . . . 1.02 110.935 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -59.19 -37.41 77.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.167 0.508 . . . . 0.68 110.228 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.537 ' OH ' ' HA ' ' A' ' 5' ' ' LYS . 83.0 t80 -63.23 -51.85 64.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.643 -0.708 . . . . 2.29 110.705 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.635 -0.257 . . . . 1.79 110.801 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -61.17 -35.1 76.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 1.48 110.19 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' B' ' 22' ' ' LYS . 46.5 m -74.41 -40.9 61.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.679 -0.691 . . . . 1.29 110.896 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.411 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.6 mm -63.12 -43.93 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 1.09 111.155 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.37 -31.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.608 -0.269 . . . . 1.09 110.81 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.42 -50.53 73.37 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.317 0.579 . . . . 2.49 110.605 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' B' ' 18' ' ' SER . 46.4 mttm -86.83 -3.02 59.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.497 -0.774 . . . . 1.94 110.831 -174.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.72 45.19 29.17 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.686 -1.143 . . . . 2.4 112.247 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.14 9.35 15.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 1.84 110.615 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.39 151.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.612 -0.722 . . . . 1.05 109.155 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.23 140.54 32.42 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.375 0.422 . . . . 1.73 110.143 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.31 -26.81 68.94 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 1.87 112.13 -170.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -46.88 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.567 -0.531 . . . . 1.84 109.567 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -34.67 87.8 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.324 -0.853 . . . . 0.36 111.932 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.26 83.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.717 0.294 . . . . 1.08 110.963 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.76 -37.41 84.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.087 0.47 . . . . 1.47 110.438 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.48 -33.29 75.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 1.52 110.184 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.93 -34.77 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 1.07 110.518 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.18 -51.5 69.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.23 110.788 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.18 -28.66 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 1.08 110.797 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.91 -49.85 73.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 0.98 110.319 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.96 -37.73 77.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 1.05 111.588 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -41.9 99.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.698 0.285 . . . . 1.68 111.02 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.74 -34.73 78.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 1.01 110.528 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.0 mt -68.89 -47.23 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 1.04 110.64 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 12.3 p -65.65 -36.95 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 1.73 111.126 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -62.45 -37.39 85.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 2.23 110.795 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -51.36 55.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.91 112.13 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 84.6 m-85 -95.01 -6.88 41.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.112 0.412 . . . . 2.0 112.112 -174.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 47.62 32.79 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.43 113.102 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 14.7 p90 -135.07 165.47 25.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.771 0.32 . . . . 2.2 110.538 -178.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -98.2 149.4 22.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.947 -0.57 . . . . 1.92 110.061 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.78 42.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 3.21 110.453 -173.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.96 -7.49 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.194 0.521 . . . . 2.24 110.824 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.35 1.38 57.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 1.25 110.632 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.78 -36.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.483 -0.781 . . . . 1.08 112.729 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -61.95 -46.45 89.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 1.61 110.832 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.58 -39.91 86.26 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.63 112.789 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -75.13 -54.77 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 1.24 111.065 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.536 . . . . 1.19 111.784 -176.415 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 pttm . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.651 0.262 . . . . 1.68 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.97 -41.01 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.98 -0.554 . . . . 2.11 110.499 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.15 -46.46 90.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.191 0.519 . . . . 1.68 110.242 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.542 HD13 ' CZ ' ' B' ' 15' ' ' TYR . 44.9 mt -70.12 -46.57 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 1.68 110.726 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.99 65.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.616 0.246 . . . . 1.02 111.343 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.94 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 1.19 110.504 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.1 -40.8 86.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 2.28 110.6 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 8' ' ' ILE . 77.3 mt -60.55 -57.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 1.12 111.881 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.62 -35.88 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.896 -0.321 . . . . 1.02 110.803 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -58.82 -42.19 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.67 110.591 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.545 ' CZ ' HD13 ' B' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.21 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 2.29 111.043 -176.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.1 -38.75 92.41 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.88 -0.328 . . . . 1.79 110.422 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -62.59 -35.66 80.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 1.48 110.042 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -72.91 -43.65 62.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.3 110.479 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 15' ' ' TYR . 36.9 mm -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 1.1 111.41 -179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.42 -33.78 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.019 -0.272 . . . . 1.09 111.0 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.37 -48.37 81.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.921 0.391 . . . . 2.49 110.653 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -80.76 -4.0 52.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.023 -0.535 . . . . 1.94 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt 55.67 41.92 29.96 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.066 -0.97 . . . . 2.4 111.782 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.89 5.9 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.945 0.403 . . . . 1.83 111.1 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.454 HD11 ' CE1' ' B' ' 44' ' ' PHE . 15.8 tt -130.59 146.68 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.481 -0.563 . . . . 1.05 109.481 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -57.79 151.57 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.231 -0.44 . . . . 1.73 111.308 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -50.21 -48.16 54.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.227 0.454 . . . . 1.87 112.227 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.17 -41.98 80.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.287 0.565 . . . . 1.85 110.8 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -68.28 -41.25 86.47 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.36 112.066 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.672 0.249 . . . . 1.08 111.672 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.27 -39.72 87.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 1.46 110.669 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.34 -30.38 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 1.52 110.556 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.93 -33.41 57.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.305 . . . . 1.07 110.757 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -63.3 -48.36 78.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.23 110.795 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 m -68.09 -29.85 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 1.08 110.397 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.296 -0.411 . . . . 0.98 110.477 176.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.2 mtm -56.74 -38.1 71.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 1.05 111.407 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.85 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 1.68 110.763 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.6 m -64.68 -36.38 84.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.311 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 36' ' ' ALA . 87.8 mt -66.09 -49.43 76.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.487 . . . . 1.04 110.4 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.459 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 14.9 m -64.12 -39.4 93.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 1.73 110.775 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.84 -27.56 67.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 2.23 111.08 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -51.4 24.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.545 -0.298 . . . . 0.91 111.354 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.456 ' CE1' HD11 ' B' ' 25' ' ' ILE . 74.6 m-85 -93.48 -6.21 47.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 2.01 111.9 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.06 54.3 28.46 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.43 112.973 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 17.1 p90 -136.81 166.79 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.856 0.328 . . . . 2.2 110.528 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -96.96 147.36 24.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 1.92 109.879 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -81.08 -18.3 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.138 0.494 . . . . 3.21 110.057 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -84.96 -4.17 59.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 2.23 110.411 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.89 1.26 56.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.837 -0.62 . . . . 1.25 110.839 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.648 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 m -55.28 -39.4 51.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-N 116.083 -0.508 . . . . 1.08 111.83 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 p -57.06 -56.93 15.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.777 0.322 . . . . 1.62 110.967 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.18 -38.55 56.64 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.745 -0.662 . . . . 0.63 113.375 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -45.74 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.843 0.322 . . . . 1.24 111.091 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.249 -0.432 . . . . 1.19 111.322 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 pttm . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.699 0.285 . . . . 1.69 110.936 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.09 -40.93 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.972 -0.558 . . . . 2.11 110.495 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.16 -46.53 90.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.066 -0.515 . . . . 1.68 110.258 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.545 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 45.2 mt -70.12 -46.5 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.528 -0.76 . . . . 1.67 110.78 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.57 -39.84 65.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.601 0.238 . . . . 1.02 111.338 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.82 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 1.18 110.545 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.11 -40.7 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.002 0.43 . . . . 2.28 110.672 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.529 HG13 ' O ' ' B' ' 8' ' ' ILE . 77.3 mt -60.75 -57.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.534 -0.757 . . . . 1.12 111.758 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.38 -36.1 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.943 -0.303 . . . . 1.02 110.808 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -58.92 -41.96 88.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.68 110.694 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.542 ' CZ ' HD13 ' A' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.3 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 2.29 110.956 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.15 -38.6 91.81 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.899 -0.32 . . . . 1.79 110.441 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -62.83 -35.27 79.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 1.48 110.118 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -73.17 -43.66 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 1.29 110.443 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.409 HG12 ' O ' ' B' ' 15' ' ' TYR . 37.0 mm -61.02 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 1.09 111.324 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -72.28 -33.91 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 121.029 -0.269 . . . . 1.09 110.997 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.37 -48.42 81.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.098 0.475 . . . . 2.49 110.672 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -80.77 -3.95 52.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.979 -0.555 . . . . 1.94 111.04 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt 55.65 41.73 30.2 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.984 -1.007 . . . . 2.4 111.789 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.79 5.86 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 1.84 111.002 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.456 HD11 ' CE1' ' A' ' 44' ' ' PHE . 15.9 tt -130.54 146.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.525 -0.546 . . . . 1.05 109.525 177.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -57.81 151.61 17.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.283 -0.417 . . . . 1.73 111.381 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.1 -48.03 53.51 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.267 0.469 . . . . 1.87 112.267 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.41 -42.35 82.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.092 0.473 . . . . 1.84 110.683 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.79 -41.53 88.51 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.566 -0.743 . . . . 0.36 112.058 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.28 -48.97 75.56 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 111.63 0.233 . . . . 1.08 111.63 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.23 -39.6 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.443 . . . . 1.47 110.707 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -65.45 -30.54 71.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 1.52 110.581 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 90.7 mt -76.85 -33.26 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 1.07 110.724 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.4 -48.39 78.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.248 -0.433 . . . . 0.23 110.772 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.21 -29.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.946 -0.301 . . . . 1.08 110.467 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.46 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.97 -50.3 69.11 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.203 -0.453 . . . . 0.98 110.475 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.1 mtm -56.54 -38.51 71.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.328 -0.396 . . . . 1.05 111.327 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.85 -48.3 82.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.511 . . . . 1.68 110.665 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 86.3 m -64.94 -36.38 84.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 1.01 111.28 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 36' ' ' ALA . 88.1 mt -66.05 -49.22 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.219 0.533 . . . . 1.04 110.474 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.461 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.1 m -64.64 -39.28 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.622 -0.717 . . . . 1.73 110.717 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.85 -26.8 67.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.03 -0.532 . . . . 2.23 111.229 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.07 -51.17 22.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.707 0.289 . . . . 0.91 111.412 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.454 ' CE1' HD11 ' A' ' 25' ' ' ILE . 74.9 m-85 -93.35 -7.16 45.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 2.0 111.889 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.8 54.11 27.14 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.43 113.053 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 17.1 p90 -136.8 166.3 23.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.888 0.344 . . . . 2.2 110.45 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -96.61 147.32 24.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 1.92 109.758 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -80.9 -18.54 46.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.988 0.423 . . . . 3.21 110.115 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.56 -4.85 59.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 2.24 110.418 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.2 0.96 57.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 1.25 110.739 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.654 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 17.3 m -54.95 -39.45 49.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 1.08 111.857 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.8 p -57.15 -56.98 14.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.857 0.36 . . . . 1.61 110.897 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.42 -38.12 57.0 Favored Glycine 0 CA--C 1.52 0.382 0 CA-C-N 115.684 -0.689 . . . . 0.63 113.305 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.5 mt -74.49 -45.83 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.025 0.413 . . . . 1.24 111.081 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 23.9 mt . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.324 -0.398 . . . . 1.19 111.279 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.943 0.402 . . . . 1.68 109.957 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.18 -42.54 93.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.496 -0.774 . . . . 2.11 110.121 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -58.16 -51.19 70.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.408 0.623 . . . . 1.68 110.564 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.49 HD11 ' CZ ' ' B' ' 15' ' ' TYR . 49.1 mt -66.9 -43.1 89.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.206 -0.907 . . . . 1.68 110.943 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.63 72.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.508 0.195 . . . . 1.02 111.217 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -46.54 90.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 1.19 110.74 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.22 -43.45 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.484 . . . . 2.28 110.328 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 8' ' ' ILE . 85.5 mt -59.29 -54.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.152 -0.931 . . . . 1.12 112.067 -176.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.61 -39.78 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.696 -0.402 . . . . 1.02 111.001 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.76 -33.93 73.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.44 . . . . 0.67 110.517 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.48 ' O ' HG12 ' A' ' 19' ' ' ILE . 55.1 t80 -65.88 -50.43 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 2.29 110.803 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.25 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.986 -0.286 . . . . 1.79 110.497 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.627 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 49.0 m -61.05 -43.87 98.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.248 -0.433 . . . . 1.48 109.848 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -65.06 -38.15 89.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.316 -0.402 . . . . 1.3 110.473 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 15' ' ' TYR . 45.7 mm -61.85 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.491 -0.322 . . . . 1.1 111.223 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -75.71 -28.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.063 -0.255 . . . . 1.09 111.092 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 17' ' ' SER . 29.0 mm-40 -64.84 -47.8 76.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.956 0.408 . . . . 2.49 110.602 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.81 -11.26 59.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.94 111.022 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.31 40.99 32.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.938 -1.028 . . . . 2.4 111.647 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.1 8.23 6.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.964 -0.562 . . . . 1.83 111.143 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.49 149.42 24.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.586 -0.524 . . . . 1.05 109.586 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -58.28 148.16 28.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.11 0.481 . . . . 1.73 110.06 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.42 -28.38 69.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.337 -0.847 . . . . 1.87 112.324 -170.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 1.85 109.732 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -39.02 90.12 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.36 111.453 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.42 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 1.08 111.132 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.24 -39.68 91.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 1.46 110.472 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -63.8 -34.48 78.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.984 -0.553 . . . . 1.52 110.265 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.32 -37.01 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.826 0.346 . . . . 1.07 110.522 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -59.81 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.23 110.826 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.5 m -71.8 -31.75 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.846 -0.342 . . . . 1.08 110.667 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -59.4 -52.98 63.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.74 0.305 . . . . 0.98 110.404 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mtm -57.02 -38.81 73.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.114 -0.494 . . . . 1.05 111.375 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -45.96 90.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 1.68 110.606 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.88 -40.48 95.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.764 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 36' ' ' ALA . 83.2 mt -64.16 -47.69 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 1.04 110.349 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.572 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 22.3 m -62.15 -41.38 98.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.681 . . . . 1.73 110.825 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.3 -41.35 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 2.23 110.834 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.96 94.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.91 112.146 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -104.6 -3.49 23.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.886 0.374 . . . . 2.01 111.801 -176.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.8 46.14 54.73 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.896 -0.593 . . . . 0.43 113.386 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 16.8 p90 -133.75 165.1 25.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.752 0.276 . . . . 2.2 110.394 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.49 154.25 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.133 -0.485 . . . . 1.92 109.811 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -81.01 -22.4 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.232 -0.655 . . . . 3.21 109.232 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.9 -12.03 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.376 -0.829 . . . . 2.23 110.751 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.78 3.81 53.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 1.25 110.926 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.632 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 8.0 m -49.42 -45.21 18.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 115.824 -0.625 . . . . 1.08 112.068 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -56.28 -48.89 75.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 1.62 111.305 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.22 -45.31 52.21 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.646 -0.706 . . . . 0.63 112.953 175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.9 mt -76.65 -40.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.536 . . . . 1.24 110.772 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 63.9 mt . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.866 -0.606 . . . . 1.19 111.907 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.99 0.424 . . . . 1.69 109.906 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.26 -42.5 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.795 . . . . 2.11 110.096 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.17 -51.16 70.88 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.461 0.648 . . . . 1.68 110.621 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.474 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 49.1 mt -66.88 -43.12 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.216 -0.902 . . . . 1.67 110.989 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.71 71.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.669 0.271 . . . . 1.02 111.33 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.39 90.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 1.18 110.697 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.37 -43.42 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 2.28 110.311 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 8' ' ' ILE . 85.1 mt -59.33 -54.69 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.165 -0.925 . . . . 1.12 112.072 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.76 -39.64 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.66 -0.416 . . . . 1.02 111.047 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -60.75 -33.93 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.982 0.42 . . . . 0.68 110.555 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.49 ' CZ ' HD11 ' A' ' 8' ' ' ILE . 55.1 t80 -66.04 -50.26 64.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 2.29 110.77 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.32 -32.88 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.665 0.269 . . . . 1.79 110.479 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.626 ' O ' ' HG2' ' B' ' 21' ' ' GLU . 49.6 m -61.03 -43.94 98.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 1.48 109.925 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -65.02 -38.24 90.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 1.29 110.532 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.483 HG12 ' O ' ' B' ' 15' ' ' TYR . 45.6 mm -61.58 -43.33 96.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.467 -0.333 . . . . 1.09 111.233 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.82 -27.9 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.931 -0.308 . . . . 1.09 111.052 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' B' ' 17' ' ' SER . 27.6 mm-40 -65.04 -47.67 76.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.39 . . . . 2.49 110.469 173.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -75.8 -11.2 59.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.21 0.529 . . . . 1.94 111.036 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.57 40.41 31.83 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 114.879 -1.055 . . . . 2.4 111.648 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -78.9 8.75 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 1.84 111.14 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.95 149.13 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.654 -0.499 . . . . 1.05 109.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -57.87 147.87 27.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.16 0.505 . . . . 1.73 109.983 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.55 -28.24 69.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.832 . . . . 1.87 112.335 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -71.16 -40.3 71.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 1.84 109.699 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.81 -39.04 89.96 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.407 -0.677 . . . . 0.36 111.407 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.37 81.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.763 0.316 . . . . 1.08 111.15 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.43 -39.2 89.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.951 0.405 . . . . 1.47 110.568 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.4 t -63.96 -34.83 78.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 1.52 110.199 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.99 -37.01 75.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.411 -0.359 . . . . 1.07 110.584 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -59.86 -48.59 81.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.23 110.879 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.7 -31.7 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.791 -0.364 . . . . 1.08 110.678 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.463 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -59.44 -52.99 63.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 120.655 0.264 . . . . 0.98 110.404 175.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.6 mtm -56.98 -38.91 73.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.16 -0.473 . . . . 1.05 111.388 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.37 -46.09 90.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.68 110.577 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.94 -40.48 95.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 1.01 110.606 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.8 mt -64.3 -47.5 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 1.04 110.33 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.581 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 22.2 m -62.24 -41.24 98.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.772 -0.649 . . . . 1.73 110.779 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.64 -40.72 97.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 2.23 110.92 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.78 95.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.965 -0.562 . . . . 0.91 112.053 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -104.56 -3.6 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.644 -0.422 . . . . 2.0 111.801 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.91 46.31 53.1 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.43 113.332 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.581 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 16.8 p90 -133.79 165.22 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.896 0.348 . . . . 2.2 110.367 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.26 154.24 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.188 -0.46 . . . . 1.92 109.937 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 3.21 109.201 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.6 -11.85 52.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 2.24 110.699 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.85 3.87 53.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 1.25 110.958 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.632 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 8.2 m -49.57 -45.37 19.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.784 -0.644 . . . . 1.08 112.07 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 1.61 111.133 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.23 -45.02 52.46 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.647 -0.706 . . . . 0.63 113.052 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 56.6 mt -76.89 -40.61 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.172 0.51 . . . . 1.24 110.801 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 63.2 mt . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.828 -0.624 . . . . 1.19 112.011 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 pttm . . . . . 0 CA--C 1.526 0.046 0 N-CA-C 112.076 0.398 . . . . 1.68 112.076 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.58 -44.13 83.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 2.11 110.282 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -62.65 -41.99 99.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 1.68 110.65 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.86 -40.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.885 -0.598 . . . . 1.68 110.417 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.81 77.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.525 -0.307 . . . . 1.02 111.091 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.21 94.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 1.19 110.528 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.91 -45.34 94.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.822 -0.626 . . . . 2.28 109.456 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.35 -46.96 95.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.474 -0.784 . . . . 1.12 112.149 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.41 -36.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.501 -0.48 . . . . 1.02 110.981 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.39 -37.04 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.307 0.575 . . . . 0.67 109.779 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.545 ' O ' HG12 ' A' ' 19' ' ' ILE . 66.3 t80 -59.94 -53.05 62.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.351 -0.841 . . . . 2.29 110.543 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -64.8 -32.34 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.547 -0.297 . . . . 1.79 110.982 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.4 m -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.714 -0.476 . . . . 1.48 109.714 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.2 t -56.29 -33.51 65.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.259 0.552 . . . . 1.3 110.86 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.7 mm -71.92 -52.02 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.137 -0.483 . . . . 1.1 111.128 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.87 -42.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.27 0.47 . . . . 1.09 112.27 -174.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 2.49 111.393 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.34 57.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 1.94 111.194 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.54 49.59 16.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.117 -0.947 . . . . 2.4 111.515 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.07 -7.53 58.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.659 -0.701 . . . . 1.83 109.88 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -130.55 154.18 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.578 -0.737 . . . . 1.05 109.758 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -60.24 159.03 10.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.296 0.373 . . . . 1.73 111.57 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.58 -54.81 23.63 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.085 0.772 . . . . 1.87 113.085 -171.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.66 -37.67 88.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.162 0.506 . . . . 1.85 110.441 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.92 -44.6 97.18 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.786 -0.721 . . . . 0.36 111.525 176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.53 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.547 0.213 . . . . 1.08 111.204 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.67 -41.08 97.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 1.46 110.354 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 m -64.18 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.809 -0.632 . . . . 1.52 110.97 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -76.65 -35.22 58.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.687 0.28 . . . . 1.07 110.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -60.21 -46.31 90.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.23 110.857 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 m -73.69 -27.53 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 1.08 110.578 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.41 -49.56 73.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.352 -0.385 . . . . 0.98 110.232 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.4 mtm -59.21 -34.78 72.58 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.118 -0.492 . . . . 1.05 110.921 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.03 -43.9 94.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.68 110.441 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.51 -38.56 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.872 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 36' ' ' ALA . 77.6 mt -66.05 -40.87 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.456 0.646 . . . . 1.04 109.743 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.34 -45.82 92.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.961 -1.018 . . . . 1.73 110.182 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.77 -34.07 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 2.23 111.314 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.41 71.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.258 -0.428 . . . . 0.91 111.877 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 99.1 m-85 -99.35 -4.67 31.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.055 0.455 . . . . 2.01 112.122 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.15 52.07 44.46 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.768 -0.651 . . . . 0.43 113.26 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 13.8 p90 -136.4 172.91 12.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.857 0.328 . . . . 2.2 110.323 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 28.4 mm-40 -107.13 150.45 26.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.02 -0.363 . . . . 1.92 110.02 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.522 ' NH1' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -80.22 -14.25 58.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 3.21 110.175 -173.144 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -80.22 -22.12 42.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 2.23 110.887 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -85.21 2.41 43.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 1.25 111.782 -177.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.662 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.6 m -53.73 -46.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.403 0.52 . . . . 1.08 112.403 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.74 -49.16 78.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 1.62 111.022 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.43 -38.15 78.21 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.634 -0.712 . . . . 0.63 113.24 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 50' ' ' ALA . 63.1 mt -76.57 -43.31 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 1.24 110.769 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 59.2 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.17 -0.468 . . . . 1.19 111.076 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 pttm . . . . . 0 C--O 1.23 0.051 0 N-CA-C 112.128 0.418 . . . . 1.69 112.128 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.71 -44.1 82.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.14 0.495 . . . . 2.11 110.27 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.563 -0.744 . . . . 1.68 110.701 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.98 -40.1 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 1.67 110.434 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.15 -40.96 78.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.586 -0.279 . . . . 1.02 111.014 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.174 -0.466 . . . . 1.18 110.542 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.78 -45.41 93.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.84 -0.618 . . . . 2.28 109.589 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.26 -47.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.391 -0.822 . . . . 1.12 112.132 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.39 -36.11 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.529 -0.468 . . . . 1.02 110.923 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -63.4 -36.94 85.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.344 0.593 . . . . 0.68 109.873 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.541 ' O ' HG12 ' B' ' 19' ' ' ILE . 67.0 t80 -59.91 -53.26 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.231 -0.895 . . . . 2.29 110.549 176.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -64.61 -32.47 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.57 -0.286 . . . . 1.79 110.96 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.9 m -60.22 -50.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.715 -0.476 . . . . 1.48 109.715 175.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.7 t -56.7 -33.39 66.41 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.169 0.509 . . . . 1.29 110.724 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.541 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.8 mm -71.99 -51.77 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.151 -0.477 . . . . 1.09 111.153 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.27 -41.95 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.233 0.457 . . . . 1.09 112.233 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.23 -37.94 87.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 2.49 111.425 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.27 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.432 . . . . 1.94 111.21 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.5 50.17 15.18 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.123 -0.944 . . . . 2.4 111.533 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.4 ' HB2' HG23 ' B' ' 19' ' ' ILE . 5.7 mm-40 -80.44 -7.7 59.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.741 -0.663 . . . . 1.84 109.796 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -130.32 154.21 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.755 . . . . 1.05 109.724 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -60.47 159.11 10.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.452 -0.34 . . . . 1.73 111.709 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.24 -54.68 23.45 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.15 0.796 . . . . 1.87 113.15 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.04 -37.73 88.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.089 0.471 . . . . 1.84 110.472 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.42 97.46 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.775 -0.726 . . . . 0.36 111.582 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.83 -45.39 86.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.564 0.221 . . . . 1.08 111.283 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.71 -41.1 97.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 1.47 110.341 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 46.3 m -64.13 -31.49 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.69 -0.686 . . . . 1.52 110.86 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.58 -35.24 58.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.323 . . . . 1.07 110.681 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -60.33 -46.33 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.23 110.791 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 20.8 m -73.66 -27.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 1.08 110.563 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.423 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.64 -49.48 73.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.381 -0.372 . . . . 0.98 110.131 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -59.14 -34.98 72.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.156 -0.474 . . . . 1.05 110.926 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.98 -43.96 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 1.68 110.397 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.0 m -67.59 -38.37 83.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 1.01 111.004 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 36' ' ' ALA . 77.6 mt -66.1 -40.87 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 1.04 109.815 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.1 -46.07 90.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 1.73 110.151 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.67 -34.05 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 2.23 111.256 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.3 71.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.91 111.919 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.411 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 99.1 m-85 -99.56 -4.6 30.79 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.026 0.38 . . . . 2.0 112.026 -174.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.02 52.15 44.34 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.43 113.231 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 14.0 p90 -136.36 173.11 12.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.832 0.316 . . . . 2.2 110.274 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.521 ' HA ' ' NH1' ' B' ' 48' ' ' ARG . 28.3 mm-40 -107.22 150.45 26.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.031 -0.359 . . . . 1.92 110.031 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.521 ' NH1' ' HA ' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -80.2 -14.3 58.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 3.21 110.118 -173.088 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -80.2 -22.07 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.347 -0.388 . . . . 2.24 111.071 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.411 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -85.29 2.25 44.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 1.25 111.613 -176.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.659 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 15.6 m -53.67 -46.23 61.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 112.407 0.521 . . . . 1.08 112.407 -177.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.68 -49.45 77.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.847 0.356 . . . . 1.61 110.899 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -38.38 75.67 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.802 -0.636 . . . . 0.63 113.276 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 50' ' ' ALA . 63.2 mt -76.39 -43.17 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 1.24 110.817 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 60.2 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.171 -0.468 . . . . 1.19 111.117 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.44 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 15.0 pttm . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 112.113 0.412 . . . . 1.68 112.113 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.53 -54.43 47.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.203 0.525 . . . . 2.11 110.96 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.4 -43.68 98.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 1.68 111.003 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.47 HG13 ' CZ ' ' B' ' 15' ' ' TYR . 47.9 mm -66.68 -49.59 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.846 -0.615 . . . . 1.68 110.674 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.38 69.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.602 -0.272 . . . . 1.02 111.305 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.14 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 1.19 110.862 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 2.28 109.7 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 8' ' ' ILE . 66.3 mt -59.07 -57.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 1.12 112.003 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.12 -33.05 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 1.02 110.805 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.95 -42.42 98.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.67 110.399 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.501 ' CZ ' HG13 ' B' ' 8' ' ' ILE . 47.5 t80 -66.89 -44.77 79.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.571 . . . . 2.29 111.052 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.68 -34.34 78.07 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.853 -0.339 . . . . 1.79 110.55 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.8 m -62.46 -33.9 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 1.48 110.355 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 m -71.99 -40.59 68.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.408 -0.36 . . . . 1.3 110.405 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.24 -50.35 80.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 1.1 111.315 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.78 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.544 -0.298 . . . . 1.09 110.996 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.35 -42.76 98.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 2.49 111.297 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -86.07 -1.18 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 1.94 110.936 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.75 40.74 12.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.52 -0.764 . . . . 2.4 110.661 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 19.5 mm-40 -72.7 -14.37 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.158 -0.928 . . . . 1.83 111.192 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.4 tt -133.0 145.66 33.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.193 -0.458 . . . . 1.05 109.822 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 163.78 8.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 1.73 111.732 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -52.66 -48.57 66.37 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.475 0.546 . . . . 1.87 112.475 -171.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.25 -45.45 93.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.079 0.466 . . . . 1.85 110.148 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.03 97.76 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.36 111.961 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.537 0.208 . . . . 1.08 111.39 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.89 -38.14 87.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.391 . . . . 1.46 110.485 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.58 -36.56 84.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.901 -0.591 . . . . 1.52 110.276 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.95 -34.98 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 1.07 110.431 175.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.23 110.729 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 m -71.21 -30.42 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.495 -0.32 . . . . 1.08 110.547 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.508 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.77 -51.9 65.32 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.516 -0.311 . . . . 0.98 110.52 176.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.5 mtm -58.87 -36.12 74.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.427 -0.351 . . . . 1.05 111.051 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.03 -49.03 79.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 1.68 110.364 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.143 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 36' ' ' ALA . 84.6 mt -63.76 -47.59 90.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 1.04 110.306 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.504 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 15.8 m -63.72 -39.3 93.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.718 -0.674 . . . . 1.73 110.257 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.95 -49.18 78.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 2.23 110.825 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.01 59.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.538 -0.755 . . . . 0.91 112.233 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 90.3 m-85 -89.79 -4.15 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.958 0.409 . . . . 2.01 111.583 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.61 48.95 53.59 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.817 -0.629 . . . . 0.43 113.484 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.2 p90 -135.03 171.49 14.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.972 0.415 . . . . 2.2 110.885 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -101.97 153.04 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 1.92 109.715 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -79.26 -16.09 56.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.198 0.523 . . . . 3.21 110.189 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.18 -15.04 48.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.677 -0.692 . . . . 2.23 110.327 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.99 -0.34 56.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.868 -0.605 . . . . 1.25 111.394 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.532 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 m -50.27 -42.12 20.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.195 -0.457 . . . . 1.08 112.137 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -61.22 -48.95 79.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.927 0.394 . . . . 1.62 110.875 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.66 -42.01 83.73 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.481 -0.782 . . . . 0.63 112.939 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.1 mt -74.1 -46.34 45.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.776 0.288 . . . . 1.24 110.81 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 75.3 mt . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 116.21 -0.45 . . . . 1.19 111.362 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' B' ' 44' ' ' PHE . 15.1 pttm . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.143 0.424 . . . . 1.69 112.143 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -58.6 -54.41 47.41 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.158 0.504 . . . . 2.11 110.99 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.17 -43.79 98.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.321 -0.854 . . . . 1.68 111.005 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.501 HG13 ' CZ ' ' A' ' 15' ' ' TYR . 47.9 mm -66.68 -49.47 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 1.67 110.772 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.35 -37.26 69.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.518 -0.31 . . . . 1.02 111.352 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.12 71.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 1.18 110.748 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.25 -38.57 91.68 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.68 -0.489 . . . . 2.28 109.68 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 8' ' ' ILE . 66.4 mt -59.08 -57.22 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.797 -0.638 . . . . 1.12 112.022 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.04 -33.16 61.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.772 -0.371 . . . . 1.02 110.742 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.68 110.385 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.47 ' CZ ' HG13 ' A' ' 8' ' ' ILE . 47.4 t80 -66.89 -44.94 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 2.29 110.967 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.56 -34.25 77.8 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.834 -0.346 . . . . 1.79 110.64 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 m -62.81 -33.39 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 1.48 110.452 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.0 m -72.1 -40.89 67.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 1.29 110.446 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.14 -50.26 80.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 1.09 111.367 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.76 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.558 -0.292 . . . . 1.09 111.09 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.42 -42.68 98.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 2.49 111.199 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -85.82 -1.95 57.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 1.94 110.914 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 62.14 40.82 11.44 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.57 -0.741 . . . . 2.4 110.688 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -72.85 -14.36 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.186 -0.916 . . . . 1.84 111.186 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.14 145.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.129 -0.487 . . . . 1.05 109.851 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -62.35 164.11 7.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.73 111.812 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -52.83 -48.71 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.459 0.54 . . . . 1.87 112.459 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.97 -45.4 93.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.129 0.49 . . . . 1.84 110.168 -176.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.97 97.41 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.579 -0.737 . . . . 0.36 111.942 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.44 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.571 0.224 . . . . 1.08 111.348 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.03 -38.29 88.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.926 0.393 . . . . 1.47 110.563 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.23 -36.88 85.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.85 -0.613 . . . . 1.52 110.193 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.72 -35.05 72.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 1.07 110.477 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.77 -49.55 77.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.23 110.773 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.27 -30.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 1.08 110.639 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.505 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.97 -52.11 64.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.491 -0.322 . . . . 0.98 110.432 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.4 mtm -58.62 -36.25 73.76 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.443 -0.344 . . . . 1.05 111.021 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.15 -48.86 79.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 1.68 110.309 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.61 -37.39 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 1.01 111.102 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 36' ' ' ALA . 84.5 mt -63.86 -47.54 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 1.04 110.264 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.51 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.7 m -63.78 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 1.73 110.256 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.11 -48.94 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.698 -0.683 . . . . 2.23 110.865 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.93 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.579 -0.737 . . . . 0.91 112.219 -175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 90.5 m-85 -89.72 -4.42 57.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 2.0 111.538 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.77 48.93 52.68 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.43 113.427 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.51 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 19.0 p90 -134.87 171.91 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.203 0.501 . . . . 2.2 110.728 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.13 153.07 20.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 1.92 109.724 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -79.3 -16.16 56.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.145 0.498 . . . . 3.21 110.172 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -84.17 -15.16 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.686 -0.688 . . . . 2.24 110.223 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.98 -0.39 56.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 1.25 111.429 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 26.1 m -50.16 -42.27 19.68 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 116.163 -0.471 . . . . 1.08 112.092 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.5 p -61.14 -48.9 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.01 0.434 . . . . 1.61 110.856 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.83 84.8 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.63 112.977 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 32.3 mt -74.1 -46.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 1.24 110.838 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 75.4 mt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 116.142 -0.481 . . . . 1.19 111.343 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 pttm . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.364 0.126 . . . . 1.68 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -63.97 -47.28 81.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.029 0.442 . . . . 2.11 110.303 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.38 -43.9 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.394 -0.821 . . . . 1.68 110.39 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 12' ' ' ILE . 44.5 mm -63.73 -51.81 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.595 -0.729 . . . . 1.68 110.152 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.54 72.82 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.302 -0.408 . . . . 1.02 111.565 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.21 78.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 1.19 110.618 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -38.07 89.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.539 -0.541 . . . . 2.28 109.539 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.469 HG12 HG12 ' B' ' 12' ' ' ILE . 66.4 mt -58.76 -57.31 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 1.12 112.067 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.54 -37.76 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 1.02 110.854 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -63.17 -34.63 78.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.67 110.722 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.407 ' O ' HG12 ' A' ' 19' ' ' ILE . 69.6 t80 -68.53 -46.05 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 2.29 110.749 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -65.08 -34.09 77.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 1.79 110.667 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -61.95 -33.15 73.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 1.48 109.958 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.503 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.3 t -73.73 -43.36 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 1.3 110.122 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 15' ' ' TYR . 47.3 mm -60.07 -44.74 95.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.255 -0.43 . . . . 1.1 111.37 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.11 -33.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.598 0.237 . . . . 1.09 111.001 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.46 -45.95 85.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.923 0.392 . . . . 2.49 110.85 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.3 mttm -78.03 -6.78 55.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 1.94 110.817 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 56.99 39.01 29.67 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.072 -0.967 . . . . 2.4 111.486 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -77.55 -5.66 50.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.83 111.082 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.87 146.28 31.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.858 -0.423 . . . . 1.05 109.858 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -54.63 150.12 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 1.73 111.498 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -51.37 -49.48 61.41 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.51 0.559 . . . . 1.87 112.51 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.72 -41.96 99.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 1.85 110.357 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.81 99.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.36 111.839 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.05 82.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 1.08 111.02 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.09 -38.68 89.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 1.46 110.512 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -64.05 -32.35 73.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 1.52 110.332 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.1 mt -73.16 -35.91 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 1.07 110.521 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -58.32 -50.14 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.23 110.712 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.02 -29.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 1.08 110.584 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.83 -50.44 68.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.444 -0.344 . . . . 0.98 110.531 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.46 -40.68 75.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.149 -0.478 . . . . 1.05 111.472 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.61 -40.33 96.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 1.68 110.856 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.17 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.379 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.1 mt -70.89 -48.19 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 1.04 111.09 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.594 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 12.1 p -61.71 -43.52 98.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.348 . . . . 1.73 111.049 -177.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 2.23 110.768 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.67 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.91 111.603 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -90.55 -2.95 57.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 2.01 111.195 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.31 57.22 7.71 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.686 -0.688 . . . . 0.43 113.005 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 25.3 p90 -144.04 167.19 22.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.84 0.352 . . . . 2.2 110.365 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -99.75 153.05 19.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.14 -0.482 . . . . 1.92 109.738 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -80.13 -18.87 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.981 0.42 . . . . 3.21 110.12 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -85.92 -13.35 48.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.024 -0.535 . . . . 2.23 110.878 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.69 2.42 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 1.25 110.942 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.555 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.1 m -49.84 -46.5 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.71 -0.677 . . . . 1.08 112.81 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.6 t -59.98 -45.6 92.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 1.62 110.831 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.77 83.89 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.962 -0.563 . . . . 0.63 112.828 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.72 -42.36 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.947 0.403 . . . . 1.24 110.299 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 87.2 mt . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 115.869 -0.605 . . . . 1.19 111.647 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 pttm . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.458 0.17 . . . . 1.69 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -64.04 -47.17 81.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.046 0.45 . . . . 2.11 110.338 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -60.44 -44.01 96.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.345 -0.843 . . . . 1.68 110.373 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.457 ' O ' HG13 ' B' ' 12' ' ' ILE . 44.1 mm -63.6 -51.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 1.67 110.206 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.54 72.55 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.336 -0.393 . . . . 1.02 111.603 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.13 78.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 1.18 110.601 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.06 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.432 -0.581 . . . . 2.28 109.432 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.469 HG12 HG12 ' A' ' 12' ' ' ILE . 67.0 mt -58.6 -57.38 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.529 -0.759 . . . . 1.12 112.136 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.67 -37.55 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.44 . . . . 1.02 110.824 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -63.31 -34.6 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 0.68 110.742 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.403 ' O ' HG12 ' B' ' 19' ' ' ILE . 69.6 t80 -68.45 -46.11 70.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 2.29 110.718 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.09 -34.08 77.56 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.954 -0.298 . . . . 1.79 110.637 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 29.8 t -61.85 -33.25 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 1.48 109.859 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.503 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 23.0 t -73.86 -43.3 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.899 -0.591 . . . . 1.29 110.184 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.403 HG12 ' O ' ' B' ' 15' ' ' TYR . 47.6 mm -59.91 -44.93 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 1.09 111.417 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.03 -33.64 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.124 -0.23 . . . . 1.09 111.117 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.38 -46.29 83.97 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 2.49 110.831 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.503 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.1 mttm -77.81 -6.61 54.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.965 0.412 . . . . 1.94 110.752 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.88 39.12 29.7 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.134 -0.939 . . . . 2.4 111.347 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.52 -5.6 50.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 1.84 111.135 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.73 146.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.44 . . . . 1.05 109.945 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.63 149.96 10.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 1.73 111.44 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -51.24 -49.86 60.3 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.537 0.569 . . . . 1.87 112.537 -171.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.31 -42.19 99.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 1.84 110.413 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.84 99.75 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.36 111.803 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.12 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 1.08 111.102 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.06 -38.65 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 1.47 110.495 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -63.96 -32.45 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.87 -0.605 . . . . 1.52 110.375 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.13 -35.83 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.608 0.242 . . . . 1.07 110.478 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -58.37 -50.15 74.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.23 110.779 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.97 -29.94 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 1.08 110.675 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.477 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.65 -50.38 69.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.98 110.569 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.54 -40.8 75.72 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.149 -0.478 . . . . 1.05 111.467 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.61 -40.29 96.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 1.68 110.762 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -35.38 80.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.03 -0.532 . . . . 1.01 110.42 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 36' ' ' ALA . 82.3 mt -70.96 -47.98 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 1.04 111.068 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.601 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 11.0 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.496 -0.32 . . . . 1.73 111.131 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.9 -31.57 70.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 2.23 110.748 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.54 -51.75 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.688 0.28 . . . . 0.91 111.664 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -90.63 -2.65 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 2.0 111.288 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.03 57.37 7.78 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.536 -0.756 . . . . 0.43 113.029 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.601 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 25.2 p90 -144.43 166.48 25.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.89 0.345 . . . . 2.2 110.374 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -99.16 153.1 19.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 1.92 109.81 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -80.19 -18.65 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.005 0.431 . . . . 3.21 110.14 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -86.5 -12.61 48.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 2.24 110.874 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.1 2.38 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 1.25 111.042 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.0 m -49.85 -46.19 22.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 112.879 0.696 . . . . 1.08 112.879 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.4 t -60.4 -45.53 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 1.61 110.69 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.96 83.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.63 112.765 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 25.1 mt -74.56 -42.34 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.983 0.42 . . . . 1.24 110.291 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.8 mt . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 115.874 -0.603 . . . . 1.19 111.716 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.833 0.349 . . . . 7.72 110.661 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 31.3 m -88.81 162.44 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.29 -0.414 . . . . 5.59 110.433 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -145.05 61.16 1.31 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.846 -0.798 . . . . 5.73 108.846 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.43 ' OG ' ' HA ' ' B' ' 68' ' ' ILE . 8.5 t -100.08 25.64 7.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.161 -0.927 . . . . 3.08 109.787 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.92 -171.56 0.12 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.005 -0.998 . . . . 2.01 109.409 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.4 p -104.17 143.1 33.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.338 -0.616 . . . . 2.01 109.338 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.599 ' HE3' ' O ' ' B' ' 24' ' ' GLU . 14.6 pttm -51.84 -29.48 19.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.871 -1.059 . . . . 1.68 112.195 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -61.13 -56.99 14.46 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.014 0.435 . . . . 2.11 110.978 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -57.73 -44.39 85.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.526 -0.761 . . . . 1.68 110.903 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 12' ' ' ILE . 39.0 mm -64.03 -47.82 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 1.68 110.765 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.33 -41.63 72.69 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 111.763 0.283 . . . . 1.02 111.763 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.92 92.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.058 0.456 . . . . 1.19 110.769 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.52 -41.27 98.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.849 -0.614 . . . . 2.28 109.38 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.459 HG12 HG12 ' B' ' 12' ' ' ILE . 74.8 mt -59.8 -56.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.136 -0.938 . . . . 1.12 112.19 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.31 -37.39 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.725 -0.39 . . . . 1.02 111.173 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.81 -33.25 74.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.894 0.378 . . . . 0.67 110.451 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' O ' HG12 ' A' ' 19' ' ' ILE . 79.4 t80 -65.25 -50.02 67.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 2.29 110.514 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' HB2' ' SD ' ' A' ' 37' ' ' MET . 28.8 m-85 -65.2 -33.78 76.81 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.992 -0.283 . . . . 1.79 110.729 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -62.94 -31.89 73.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 1.48 110.033 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.473 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 16.9 t -76.56 -38.59 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 1.3 110.21 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 15' ' ' TYR . 46.2 mm -62.08 -43.96 98.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.256 -0.429 . . . . 1.1 111.01 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -75.89 -28.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.678 0.275 . . . . 1.09 110.495 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.68 -54.57 45.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.416 0.627 . . . . 2.49 110.339 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 48.3 mttm -82.1 -3.51 54.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.277 -0.874 . . . . 1.94 110.782 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 56.94 41.67 27.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.964 -1.016 . . . . 2.4 111.458 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.602 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 30.9 mt-10 -75.71 -3.99 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 1.83 111.003 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.8 150.91 35.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 1.05 110.049 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -56.57 150.63 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.73 110.464 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.42 -27.71 69.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.97 -0.559 . . . . 1.87 111.643 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.71 -46.08 69.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.202 0.525 . . . . 1.85 109.635 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.64 -37.59 93.73 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.499 -0.773 . . . . 0.36 111.562 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.8 79.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.544 0.212 . . . . 1.08 111.232 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.38 -45.75 90.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.46 110.472 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 m -61.63 -34.14 75.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 1.52 110.842 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.92 -40.47 72.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 1.07 110.829 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -59.83 -48.54 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.23 111.132 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.0 m -70.54 -29.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.857 -0.337 . . . . 1.08 110.513 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.19 -52.72 61.18 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.469 -0.332 . . . . 0.98 110.26 175.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.407 ' SD ' ' HB2' ' A' ' 16' ' ' PHE . 73.8 mtm -58.28 -36.83 73.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.801 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.21 -44.32 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.899 -0.592 . . . . 1.68 110.778 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.1 m -69.42 -34.59 74.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.934 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 36' ' ' ALA . 92.6 mt -64.59 -49.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.127 0.489 . . . . 1.04 109.993 176.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.594 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 17.8 m -64.04 -34.62 78.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.492 -0.776 . . . . 1.73 110.379 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.42 -42.71 99.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.705 . . . . 2.23 110.947 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.73 65.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 0.91 112.159 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.04 -7.74 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.156 0.503 . . . . 2.01 111.852 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.25 57.29 6.94 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.691 -0.686 . . . . 0.43 113.2 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 24.1 p90 -142.07 169.83 16.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.051 0.425 . . . . 2.2 110.532 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.5 152.77 19.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.045 -0.525 . . . . 1.92 109.631 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.06 -16.98 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 3.21 109.897 -172.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -93.44 -4.78 50.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 2.23 110.734 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.27 -0.96 57.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.053 -0.521 . . . . 1.25 110.617 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.82 -36.94 11.9 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 CA-C-N 115.345 -0.843 . . . . 1.08 112.542 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 p -55.47 -56.5 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 1.62 111.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.14 -41.76 61.27 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.698 -0.683 . . . . 0.63 113.45 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 57' ' ' LYS . 53.4 mt -75.67 -43.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 1.24 111.297 -177.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.66 -41.81 92.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.425 -0.352 . . . . 1.19 111.042 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.39 -15.81 53.03 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.845 -0.693 . . . . 0.91 112.706 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 54' ' ' ILE . 38.4 ttmt -80.36 -20.05 45.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.84 0.353 . . . . 2.69 110.225 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -127.15 111.52 14.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.849 0.357 . . . . 2.28 111.282 -174.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.76 -21.94 29.82 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.899 -0.321 . . . . 5.07 111.124 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 67.18 170.86 0.26 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.846 0.716 . . . . 3.08 110.578 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.491 ' NZ ' ' HA ' ' B' ' 67' ' ' ASP . 24.0 pttm -119.31 -8.55 10.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.017 0.437 . . . . 6.58 110.679 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.01 -47.76 0.12 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.986 -0.626 . . . . 3.93 111.61 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG2' ' HG2' ' B' ' 63' ' ' GLN . 56.7 mt-30 -64.13 -94.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 4.2 110.798 178.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 69.41 -85.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.84 -0.618 . . . . 7.72 111.249 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.3 mt -145.27 167.26 23.27 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.172 0.189 . . . . 7.3 110.525 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 78.18 -51.14 0.49 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.692 0.797 . . . . 3.61 112.258 173.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.502 ' HA ' ' NZ ' ' B' ' 61' ' ' LYS . 17.7 t0 -76.6 -24.77 53.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.459 0.647 . . . . 5.67 109.437 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.444 ' HA ' ' OG ' ' B' ' 2' ' ' SER . 12.9 pt -138.78 117.48 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.98 -1.009 . . . . 3.77 109.117 172.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 mp -91.06 -4.75 56.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.878 0.37 . . . . 3.95 111.14 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -92.25 18.79 7.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.268 -0.423 . . . . 2.67 110.817 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.0 m -75.32 -34.78 61.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.118 0.485 . . . . 3.43 110.199 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.706 -0.679 . . . . 4.3 110.286 179.705 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.865 0.364 . . . . 7.73 110.565 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 31.6 m -88.45 162.9 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.352 -0.386 . . . . 5.59 110.421 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -145.29 60.99 1.29 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.802 0.811 . . . . 5.72 109.03 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 68' ' ' ILE . 8.5 t -100.21 25.94 7.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.074 -0.966 . . . . 3.08 109.748 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.87 -171.2 0.12 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.983 -1.008 . . . . 2.01 109.387 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 84.3 p -104.37 142.95 33.67 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.325 -0.62 . . . . 2.01 109.325 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.602 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 14.6 pttm -51.69 -29.38 17.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.829 -1.078 . . . . 1.69 112.176 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.33 -56.92 15.01 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.968 0.413 . . . . 2.11 110.994 173.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -57.9 -44.25 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.538 -0.755 . . . . 1.68 110.78 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.417 ' O ' HG13 ' B' ' 12' ' ' ILE . 38.9 mm -64.06 -47.85 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.601 -0.727 . . . . 1.67 110.767 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.41 -41.43 72.72 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 111.746 0.276 . . . . 1.02 111.746 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.79 93.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.136 0.493 . . . . 1.18 110.758 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.649 . . . . 2.28 109.376 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.459 HG12 HG12 ' A' ' 12' ' ' ILE . 74.5 mt -59.91 -56.21 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.156 -0.929 . . . . 1.12 112.14 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.22 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.831 -0.348 . . . . 1.02 111.137 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.91 -33.16 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.68 110.481 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.428 ' O ' HG12 ' B' ' 19' ' ' ILE . 79.3 t80 -65.36 -49.91 67.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 2.29 110.541 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.402 ' HB2' ' SD ' ' B' ' 37' ' ' MET . 28.9 m-85 -65.22 -33.81 76.88 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.957 -0.297 . . . . 1.79 110.731 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -62.92 -31.63 72.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 1.48 110.063 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.472 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 15.0 t -76.98 -38.48 53.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 1.29 110.112 177.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 15' ' ' TYR . 46.0 mm -61.99 -44.12 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 1.09 110.936 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.83 -28.57 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.511 -0.313 . . . . 1.09 110.487 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.67 -54.49 46.46 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.278 0.561 . . . . 2.49 110.356 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.472 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 48.6 mttm -82.39 -3.3 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.434 -0.803 . . . . 1.94 110.68 -176.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 57.05 41.71 27.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.96 -1.018 . . . . 2.4 111.409 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.599 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 30.7 mt-10 -75.81 -3.82 37.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 1.84 110.985 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.94 150.88 35.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.987 -0.375 . . . . 1.05 109.987 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -56.6 150.49 15.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.73 110.455 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.31 -27.8 69.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.96 -0.564 . . . . 1.87 111.644 -174.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.89 -45.79 70.03 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.682 -0.488 . . . . 1.84 109.682 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.46 93.56 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.36 111.615 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.59 -42.91 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.517 0.198 . . . . 1.08 111.123 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.31 -45.74 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 1.47 110.555 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -34.37 75.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 1.52 110.833 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.99 -40.41 71.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.737 0.303 . . . . 1.07 110.789 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -59.83 -48.61 80.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.23 111.087 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 m -70.45 -29.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 1.08 110.539 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.457 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.43 -52.62 60.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.463 -0.335 . . . . 0.98 110.169 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' MET . . . . . 0.402 ' SD ' ' HB2' ' B' ' 16' ' ' PHE . 73.9 mtm -58.37 -36.77 73.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.05 110.811 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.44 -43.99 97.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.953 -0.567 . . . . 1.68 110.772 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.0 m -69.65 -34.47 74.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.232 -0.44 . . . . 1.01 110.894 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 36' ' ' ALA . 93.3 mt -64.68 -49.08 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.165 0.507 . . . . 1.04 109.939 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.599 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -64.08 -34.75 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.559 -0.746 . . . . 1.73 110.444 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.42 -42.38 99.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.23 110.847 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -51.45 65.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.877 -0.601 . . . . 0.91 112.036 -176.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -91.26 -7.78 50.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 2.0 111.694 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.08 57.47 6.92 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.43 113.228 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 24.0 p90 -142.12 169.95 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.914 0.357 . . . . 2.2 110.448 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.44 152.91 19.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.955 -0.566 . . . . 1.92 109.557 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.04 -17.43 55.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.218 0.532 . . . . 3.21 109.978 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -93.22 -4.77 51.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.633 -0.712 . . . . 2.24 110.609 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 -0.85 57.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.036 0.446 . . . . 1.25 110.527 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.93 -36.93 12.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 115.409 -0.814 . . . . 1.08 112.628 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.298 . . . . 1.61 111.218 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.03 -41.79 60.25 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.692 -0.685 . . . . 0.63 113.288 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' B' ' 57' ' ' LYS . 53.5 mt -75.6 -43.31 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.003 0.43 . . . . 1.24 111.287 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.72 -41.97 91.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.45 -0.341 . . . . 1.19 110.915 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.17 -15.69 51.37 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.896 -0.668 . . . . 0.91 112.749 173.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' B' ' 54' ' ' ILE . 38.4 ttmt -80.76 -20.27 43.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.934 0.397 . . . . 2.68 110.231 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -126.92 111.61 14.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.397 -0.365 . . . . 2.28 111.198 -174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -84.87 -21.71 29.65 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.943 -0.303 . . . . 5.06 111.131 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.405 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 75.9 m-85 66.84 170.29 0.25 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.6 0.562 . . . . 3.08 110.611 -176.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.502 ' NZ ' ' HA ' ' A' ' 67' ' ' ASP . 24.0 pttm -118.88 -8.56 10.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.002 0.429 . . . . 6.57 110.776 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -130.93 -47.68 0.13 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.518 -0.633 . . . . 3.92 111.518 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.434 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 56.7 mt-30 -64.21 -94.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 4.2 110.83 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 69.36 -85.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.764 -0.653 . . . . 7.73 111.181 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 93.3 mt -144.97 167.24 23.12 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.51 -0.182 . . . . 7.31 110.51 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 77.77 -51.0 0.52 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.041 0.838 . . . . 3.62 112.371 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.491 ' HA ' ' NZ ' ' A' ' 61' ' ' LYS . 18.6 t0 -76.34 -24.87 54.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.478 0.656 . . . . 5.67 109.521 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.43 ' HA ' ' OG ' ' A' ' 2' ' ' SER . 12.8 pt -138.85 117.54 13.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.922 -1.035 . . . . 3.78 109.222 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 mp -91.13 -4.36 56.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.982 0.42 . . . . 3.95 111.164 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -92.53 18.85 7.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.161 -0.472 . . . . 2.68 110.865 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.2 m -75.38 -35.28 61.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.244 0.545 . . . . 3.44 110.169 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-N 115.624 -0.716 . . . . 4.3 110.042 179.278 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.532 0.206 . . . . 7.72 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' VAL . . . . . 0.475 ' C ' ' H ' ' A' ' 2' ' ' SER . 16.8 m -72.54 165.03 3.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.852 -0.158 . . . . 5.59 110.657 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.585 ' OD1' ' HG2' ' A' ' 61' ' ' LYS . 1.5 t70 80.12 -25.3 0.18 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.596 0.758 . . . . 5.73 110.382 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 0' ' ' VAL . 10.6 t -53.14 -25.74 14.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.598 -1.183 . . . . 3.08 112.5 177.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.62 -161.27 0.09 Allowed 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.867 0.467 . . . . 2.01 110.853 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.49 ' O ' HG12 ' A' ' 8' ' ' ILE . 4.2 m -100.36 152.66 20.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.745 0.307 . . . . 2.01 110.282 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -63.14 -25.88 68.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.539 . . . . 1.68 111.248 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.42 -48.53 80.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.279 0.561 . . . . 2.11 110.02 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 1.68 110.569 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 4' ' ' SER . 32.8 mm -63.37 -50.07 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 1.68 110.274 177.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.75 72.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 1.02 111.531 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.09 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.101 0.477 . . . . 1.19 110.542 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.66 -42.12 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.601 -0.727 . . . . 2.28 109.657 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.17 -55.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.019 -0.991 . . . . 1.12 112.303 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.78 -35.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.673 -0.411 . . . . 1.02 111.087 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -61.4 -31.51 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.67 110.456 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.535 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . 72.1 t80 -68.55 -47.68 66.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 2.29 110.726 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -65.9 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.796 -0.362 . . . . 1.79 110.696 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -60.78 -34.62 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.128 0.49 . . . . 1.48 109.982 174.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.524 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.8 t -72.54 -45.75 57.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 1.3 110.34 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -59.16 -44.8 92.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.408 -0.36 . . . . 1.1 111.431 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.57 -33.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.583 -0.28 . . . . 1.09 110.98 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.79 -48.52 78.77 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.962 0.41 . . . . 2.49 110.409 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.524 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.9 mttm -76.13 -6.12 49.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 1.94 110.808 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.13 41.83 31.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.964 -1.017 . . . . 2.4 111.571 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.6 -4.87 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.701 -0.682 . . . . 1.83 111.258 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.138 -0.319 . . . . 1.05 110.138 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -58.28 155.68 11.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.644 -0.707 . . . . 1.73 111.725 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.3 -42.85 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.729 0.3 . . . . 1.87 111.704 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.21 -42.77 96.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 1.85 110.084 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -43.43 91.37 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.737 -0.744 . . . . 0.36 111.858 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.42 75.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.668 0.27 . . . . 1.08 111.592 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.11 -39.84 83.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 1.46 110.744 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 m -65.07 -30.69 71.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 1.52 111.07 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.11 -35.49 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 1.07 110.472 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -61.75 -52.07 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.23 110.796 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.2 -31.51 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.972 -0.291 . . . . 1.08 110.447 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.34 -52.14 64.83 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.317 -0.402 . . . . 0.98 110.275 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mtm -56.33 -43.64 79.22 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.388 -0.369 . . . . 1.05 111.898 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.763 -0.199 . . . . 1.68 111.525 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -67.13 -39.96 86.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 1.0 110.62 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 36' ' ' ALA . 74.2 mt -65.88 -44.8 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.395 0.617 . . . . 1.04 109.965 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 29.7 t -55.4 -53.15 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.979 -1.01 . . . . 1.73 110.802 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.11 -38.53 86.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 2.23 111.099 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.92 52.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.433 . . . . 0.91 111.927 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.401 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 96.6 m-85 -89.4 -8.52 52.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.131 0.419 . . . . 2.01 112.131 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.83 48.78 32.31 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.43 113.048 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 14.7 p90 -137.53 160.75 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.852 -0.425 . . . . 2.2 109.852 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.7 153.99 19.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.261 -0.274 . . . . 1.92 110.261 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.2 -24.23 40.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 3.21 110.032 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.42 -14.67 39.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 2.23 110.745 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.98 0.9 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 1.25 111.037 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 18.3 m -50.54 -43.88 24.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.568 -0.742 . . . . 1.08 112.497 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 p -59.75 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 1.62 110.964 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.59 94.22 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.88 -0.6 . . . . 0.63 112.52 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.2 mt -69.24 -49.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.843 0.354 . . . . 1.24 110.719 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 85.9 mt -56.89 -31.68 65.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 1.19 111.509 178.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.71 -20.13 30.89 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.085 -0.578 . . . . 0.91 113.633 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -89.55 0.42 56.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.041 0.421 . . . . 2.69 111.224 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.8 p -54.06 126.95 24.6 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.43 0.634 . . . . 2.28 112.559 -173.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.0 -15.23 48.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.457 -0.792 . . . . 5.07 110.473 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.529 ' HA ' ' OD2' ' A' ' 1' ' ' ASP . 84.5 m-85 -51.91 111.61 0.64 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.97 -0.559 . . . . 3.08 112.023 -176.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.585 ' HG2' ' OD1' ' A' ' 1' ' ' ASP . 22.5 pttm -101.51 2.13 38.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.122 -0.49 . . . . 6.58 110.309 176.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.17 -19.36 60.99 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.848 -0.692 . . . . 3.93 111.525 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -66.34 130.67 44.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.614 -0.293 . . . . 4.2 110.43 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -165.74 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 7.72 110.723 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.62 165.04 20.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.025 0.44 . . . . 7.3 110.771 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.94 36.37 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.495 0.664 . . . . 3.61 109.967 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -82.74 -50.22 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.014 -0.994 . . . . 5.67 110.565 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.1 mt -78.16 87.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.312 0.577 . . . . 3.77 110.332 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.16 -22.36 62.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 3.95 110.897 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.535 ' ND2' ' HB2' ' A' ' 15' ' ' TYR . 12.0 p-10 -91.93 20.73 5.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.476 -0.784 . . . . 2.67 111.636 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 m -64.71 -23.92 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.038 0.447 . . . . 3.43 110.45 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.695 -0.669 . . . . 4.3 109.707 177.495 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.474 0.178 . . . . 7.73 111.06 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' VAL . . . . . 0.486 ' C ' ' H ' ' B' ' 2' ' ' SER . 17.5 m -72.69 165.16 3.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.836 -0.166 . . . . 5.59 110.625 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.579 ' OD1' ' HG2' ' B' ' 61' ' ' LYS . 1.4 t70 79.94 -24.98 0.19 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.487 0.715 . . . . 5.72 110.353 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.486 ' H ' ' C ' ' B' ' 0' ' ' VAL . 10.8 t -53.33 -25.84 16.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.664 -1.153 . . . . 3.08 112.465 177.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.65 -161.77 0.09 Allowed 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 122.955 0.502 . . . . 2.01 110.707 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.482 ' O ' HG12 ' B' ' 8' ' ' ILE . 3.9 m -99.99 152.3 20.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 2.01 110.281 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -62.81 -26.04 68.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 1.69 111.346 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.21 -48.65 80.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.313 0.578 . . . . 2.11 109.962 172.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.09 -40.05 94.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.253 -0.885 . . . . 1.68 110.626 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.482 HG12 ' O ' ' B' ' 4' ' ' SER . 32.9 mm -63.26 -50.05 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 1.67 110.252 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.73 72.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 1.02 111.511 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.05 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.186 0.517 . . . . 1.18 110.521 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.61 -42.15 87.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 2.28 109.598 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.29 -55.57 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.98 -1.009 . . . . 1.12 112.266 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.68 -35.52 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.684 -0.407 . . . . 1.02 111.077 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -61.31 -31.72 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.68 110.436 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.533 ' HB2' ' ND2' ' B' ' 70' ' ' ASN . 71.9 t80 -68.37 -47.61 66.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.351 -0.386 . . . . 2.29 110.744 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -65.86 -34.73 78.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.836 -0.346 . . . . 1.79 110.809 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.129 0.49 . . . . 1.48 109.978 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.515 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 22.6 t -72.87 -45.44 58.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 1.29 110.36 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.51 -44.77 93.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.331 -0.395 . . . . 1.09 111.371 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.43 -33.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.068 -0.253 . . . . 1.09 110.856 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.46 -48.66 78.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 2.49 110.502 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.515 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.8 mttm -76.02 -6.12 49.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 1.94 110.745 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.09 42.3 31.65 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 114.849 -1.069 . . . . 2.4 111.457 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.84 -5.2 52.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 1.84 111.299 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.82 147.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.149 -0.315 . . . . 1.05 110.149 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -58.32 155.83 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.655 -0.702 . . . . 1.73 111.736 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.4 -42.84 70.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.766 0.317 . . . . 1.87 111.559 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.02 -43.14 96.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 1.84 110.08 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.6 91.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.873 -0.679 . . . . 0.36 111.886 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.56 -48.28 75.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.388 0.275 . . . . 1.08 111.616 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.26 -39.88 84.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.858 0.361 . . . . 1.47 110.694 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.8 m -64.84 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 1.52 110.957 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.18 -35.15 61.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 1.07 110.491 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -62.03 -52.07 65.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 0.23 110.869 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.21 -31.41 53.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 1.08 110.545 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.452 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.44 -52.03 65.16 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.319 -0.401 . . . . 0.98 110.317 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.41 -43.47 79.38 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.378 -0.374 . . . . 1.05 111.774 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.2 -37.72 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.52 0.192 . . . . 1.68 111.52 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 72.7 m -66.76 -40.03 88.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.855 0.36 . . . . 1.01 110.671 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 36' ' ' ALA . 74.1 mt -65.83 -44.8 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.404 0.621 . . . . 1.04 110.018 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 29.3 t -55.56 -53.35 57.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.972 -1.013 . . . . 1.73 110.643 177.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.78 -38.62 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 2.23 111.112 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.94 -53.78 53.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.91 111.822 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.404 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 96.5 m-85 -89.44 -8.74 52.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.222 0.453 . . . . 2.0 112.222 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.35 48.29 31.48 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 116.052 -0.522 . . . . 0.43 113.224 176.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 14.8 p90 -137.36 160.59 38.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 2.2 109.918 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -90.64 153.83 20.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.756 0.313 . . . . 1.92 110.176 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -80.06 -24.07 40.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 3.21 110.026 -173.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -87.55 -14.76 39.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 2.24 110.762 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.65 0.63 46.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 1.25 111.031 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.554 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 18.1 m -50.44 -43.89 23.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.476 -0.784 . . . . 1.08 112.503 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -59.73 -48.35 82.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 1.61 111.012 -178.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.82 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.728 -0.669 . . . . 0.63 112.533 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.14 -49.58 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.838 0.352 . . . . 1.24 110.613 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.1 mt -56.86 -31.79 65.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 1.19 111.496 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.4 -20.65 30.73 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 120.921 -0.657 . . . . 0.91 113.626 173.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -89.43 0.95 56.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.104 0.452 . . . . 2.68 111.292 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 18.8 p -54.37 127.04 25.66 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.331 0.586 . . . . 2.28 112.493 -173.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -84.26 -15.05 48.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.425 -0.807 . . . . 5.06 110.425 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.52 ' HA ' ' OD2' ' B' ' 1' ' ' ASP . 84.3 m-85 -51.63 111.82 0.66 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.001 -0.545 . . . . 3.08 112.002 -176.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.579 ' HG2' ' OD1' ' B' ' 1' ' ' ASP . 22.5 pttm -101.36 1.57 38.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.436 . . . . 6.57 110.415 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.84 -19.23 61.84 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.83 -0.7 . . . . 3.92 111.605 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -66.61 130.49 43.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.532 -0.334 . . . . 4.2 110.448 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -165.56 -30.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.339 -0.392 . . . . 7.73 110.752 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.51 164.99 20.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.207 -0.451 . . . . 7.31 110.713 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.94 36.74 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.482 0.658 . . . . 3.62 109.87 175.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -82.94 -50.23 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.868 -1.06 . . . . 5.67 110.581 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.0 mt -78.15 87.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.237 0.541 . . . . 3.78 110.379 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.13 -21.99 62.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.823 -0.626 . . . . 3.95 110.91 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.533 ' ND2' ' HB2' ' B' ' 15' ' ' TYR . 11.8 p-10 -92.27 20.85 5.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.342 -0.844 . . . . 2.68 111.558 -176.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 65.1 m -64.85 -23.55 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.037 0.446 . . . . 3.44 110.662 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.683 -0.675 . . . . 4.3 109.983 177.453 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 110.122 -0.325 . . . . 7.72 110.122 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.44 154.12 32.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.02 0.438 . . . . 5.59 110.16 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -155.53 -34.03 0.09 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.716 -0.675 . . . . 5.73 110.255 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t -43.13 -55.21 4.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.861 -1.063 . . . . 3.08 110.778 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.71 167.33 29.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 2.01 110.073 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 t -98.73 148.05 24.26 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.447 0.641 . . . . 2.01 109.825 176.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 10.7 ptpp? -67.35 -22.4 65.59 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.882 -1.054 . . . . 1.68 110.175 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.44 -41.03 85.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.591 -0.731 . . . . 2.11 110.533 175.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.99 -41.53 82.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.026 -0.534 . . . . 1.68 110.746 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.431 HD12 ' HH ' ' B' ' 15' ' ' TYR . 64.0 mt -68.77 -43.0 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.184 -0.462 . . . . 1.68 110.417 177.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.53 67.86 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.475 -0.33 . . . . 1.02 110.908 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.23 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 1.19 110.612 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.59 -40.22 82.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.208 0.528 . . . . 2.28 110.809 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.18 -53.14 49.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.245 -0.889 . . . . 1.12 111.96 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.42 -30.94 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.586 -0.446 . . . . 1.02 110.548 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.42 -40.37 86.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.206 0.527 . . . . 0.67 110.129 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.442 ' HH ' HD12 ' B' ' 8' ' ' ILE . 48.7 t80 -61.17 -55.23 34.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.514 -0.766 . . . . 2.29 110.878 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.82 -34.6 78.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.394 -0.367 . . . . 1.79 111.013 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.9 m -61.59 -42.13 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 1.48 110.334 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -66.88 -42.13 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 1.3 110.326 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 15' ' ' TYR . 37.2 mm -60.84 -47.6 92.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.059 -0.519 . . . . 1.1 111.42 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.77 -32.42 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 121.102 -0.239 . . . . 1.09 111.407 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.38 -44.42 97.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.02 0.438 . . . . 2.49 110.778 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 88.7 mttt -83.59 -6.35 59.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 1.94 110.438 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HZ2' ' CD ' ' A' ' 27' ' ' GLU . 37.2 mtpt 55.43 42.61 29.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.927 -1.033 . . . . 2.4 111.286 -176.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HG2' ' HB2' ' A' ' 22' ' ' LYS . 13.5 mm-40 -70.94 -9.42 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 1.83 110.714 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.7 tt -124.99 149.89 29.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.282 -0.636 . . . . 1.05 109.282 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -60.71 162.19 6.95 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.194 0.309 . . . . 1.73 111.76 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CD ' ' HZ2' ' A' ' 23' ' ' LYS . 22.6 mm-40 -49.77 -54.22 20.38 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.76 -0.655 . . . . 1.87 112.397 -172.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.58 -43.18 99.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.85 110.997 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.05 98.15 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.933 -0.651 . . . . 0.36 111.982 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.04 75.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 1.08 111.393 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.22 -38.48 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 1.46 110.681 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -65.55 -30.87 71.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 1.52 110.253 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.42 -36.55 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 1.07 110.499 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -59.18 -50.53 73.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.23 110.904 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -31.95 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.52 -0.309 . . . . 1.08 110.431 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.16 -48.31 78.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.98 110.562 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.17 -43.64 82.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 1.05 111.889 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.32 -29.88 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.853 -0.339 . . . . 1.68 110.761 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.34 -38.23 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 1.0 109.977 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 36' ' ' ALA . 80.0 mt -63.64 -40.18 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 1.04 109.368 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -64.53 -41.79 96.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.155 -0.929 . . . . 1.73 110.259 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.18 -21.96 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.913 -0.585 . . . . 2.23 110.957 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.59 23.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.91 111.895 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 86.3 m-85 -106.62 -12.77 15.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.807 0.669 . . . . 2.01 112.807 -173.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.44 57.03 5.76 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.222 -0.513 . . . . 0.43 112.777 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 6.3 p90 -147.28 164.58 32.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.757 0.278 . . . . 2.2 110.505 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.69 157.93 16.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.288 -0.414 . . . . 1.92 110.022 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -79.82 -13.08 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 3.21 110.272 -176.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.32 -20.76 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 2.23 110.531 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.82 -3.84 49.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 1.25 111.027 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.639 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.4 m -47.04 -48.14 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 115.525 -0.761 . . . . 1.08 112.692 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 p -60.47 -44.74 95.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 1.62 111.217 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.76 -42.64 91.67 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.63 112.537 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.44 -49.79 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.071 0.462 . . . . 1.24 110.703 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 81.7 mt -55.76 -44.22 77.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.565 -0.743 . . . . 1.19 111.896 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.52 -7.99 8.71 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.147 -0.549 . . . . 0.91 114.041 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -83.76 -17.01 42.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.405 -0.468 . . . . 2.69 110.829 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -142.22 135.53 28.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 2.28 111.006 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' C ' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -82.99 -16.61 46.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.281 -0.418 . . . . 5.07 110.463 177.141 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 71.99 -34.59 0.3 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.679 0.791 . . . . 3.08 111.561 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 59' ' ' GLU . 3.8 tppp? 61.42 93.0 0.05 OUTLIER 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.714 0.769 . . . . 6.58 111.756 173.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.11 -32.91 2.14 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.034 -0.985 . . . . 3.93 110.806 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -92.91 149.16 21.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.207 -0.497 . . . . 4.2 110.689 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 179.53 -63.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.19 -0.914 . . . . 7.72 108.668 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.47 121.94 9.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.694 -0.684 . . . . 7.3 109.489 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.83 -160.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.005 -0.543 . . . . 3.61 109.812 -175.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -34.93 73.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.133 0.492 . . . . 5.67 110.276 173.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.43 96.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 3.77 110.767 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.37 -27.83 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.554 . . . . 3.95 110.616 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.412 ' HB3' ' HB2' ' A' ' 15' ' ' TYR . 4.3 p-10 -81.35 19.76 0.94 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.855 -0.611 . . . . 2.67 111.524 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.5 t -63.23 136.34 57.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.154 -0.475 . . . . 3.43 110.634 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.294 0 CA-C-O 118.824 -0.607 . . . . 4.3 110.264 179.571 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.075 -0.343 . . . . 7.73 110.075 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.71 153.92 31.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.043 0.449 . . . . 5.59 110.109 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -155.41 -34.17 0.09 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.66 -0.7 . . . . 5.72 110.187 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -43.2 -54.66 4.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.913 -1.04 . . . . 3.08 110.867 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.27 166.97 30.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.385 -0.37 . . . . 2.01 110.069 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.1 t -98.68 148.1 24.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.572 0.701 . . . . 2.01 109.726 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.423 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 10.7 ptpp? -67.4 -22.26 65.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.758 -1.11 . . . . 1.69 110.146 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.47 -40.92 85.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.627 -0.715 . . . . 2.11 110.505 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.36 -41.3 80.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 1.68 110.687 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.442 HD12 ' HH ' ' A' ' 15' ' ' TYR . 64.5 mt -68.87 -42.92 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.195 -0.457 . . . . 1.67 110.426 177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.59 67.88 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.527 -0.306 . . . . 1.02 110.886 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.27 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 1.18 110.687 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.56 -40.3 82.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.166 0.507 . . . . 2.28 110.764 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.21 -53.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.26 -0.882 . . . . 1.12 112.008 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.46 -30.74 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.651 -0.419 . . . . 1.02 110.632 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -59.57 -40.39 87.19 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.187 0.518 . . . . 0.68 110.018 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.431 ' HH ' HD12 ' A' ' 8' ' ' ILE . 48.5 t80 -61.22 -55.22 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.424 -0.807 . . . . 2.29 110.836 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -63.71 -34.75 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 1.79 111.035 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 66.5 m -61.72 -41.66 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 1.48 110.334 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -67.31 -42.08 84.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 1.29 110.299 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.41 HG12 ' O ' ' B' ' 15' ' ' TYR . 36.9 mm -60.89 -47.44 93.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.132 -0.485 . . . . 1.09 111.425 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.72 -32.56 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.218 -0.193 . . . . 1.09 111.374 -177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.5 -44.12 97.65 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.073 0.463 . . . . 2.49 110.737 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.461 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 88.6 mttt -83.76 -6.52 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.309 0.576 . . . . 1.94 110.542 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.422 ' HZ2' ' CD ' ' B' ' 27' ' ' GLU . 37.0 mtpt 55.65 42.59 29.29 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 114.781 -1.1 . . . . 2.4 111.282 -176.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.461 ' HG2' ' HB2' ' B' ' 22' ' ' LYS . 13.1 mm-40 -71.06 -9.46 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.691 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.67 150.18 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.337 -0.616 . . . . 1.05 109.337 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.8 t -60.92 162.12 7.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.733 0.301 . . . . 1.73 111.675 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.422 ' CD ' ' HZ2' ' B' ' 23' ' ' LYS . 21.4 mm-40 -49.56 -54.62 17.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.628 -0.714 . . . . 1.87 112.332 -172.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.28 -43.64 98.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 1.84 110.793 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.01 98.38 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.733 -0.667 . . . . 0.36 112.097 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.14 76.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.704 0.288 . . . . 1.08 111.267 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.97 -38.65 91.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.871 0.367 . . . . 1.47 110.614 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.8 t -65.18 -31.01 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.969 -0.559 . . . . 1.52 110.379 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.45 -36.59 63.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 1.07 110.488 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.17 -50.5 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.23 110.972 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.31 -31.92 53.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.754 0.311 . . . . 1.08 110.584 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.22 -48.25 79.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.226 -0.443 . . . . 0.98 110.546 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.11 -43.72 82.55 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.162 -0.472 . . . . 1.05 111.885 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.61 -29.6 68.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 1.68 110.624 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.34 -38.47 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.213 0.53 . . . . 1.01 109.956 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 36' ' ' ALA . 78.9 mt -63.59 -40.18 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.438 0.637 . . . . 1.04 109.361 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.9 m -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 1.73 110.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.92 -22.4 66.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.943 -0.571 . . . . 2.23 110.977 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.25 -41.69 24.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.91 111.805 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.404 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 86.0 m-85 -106.77 -12.52 15.5 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.757 0.651 . . . . 2.0 112.757 -173.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.43 56.72 5.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.257 -0.496 . . . . 0.43 112.838 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 6.3 p90 -147.19 164.37 33.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.888 0.344 . . . . 2.2 110.441 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -101.46 157.86 16.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 1.92 110.001 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.442 ' N ' ' HD3' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -79.79 -12.72 59.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.068 0.461 . . . . 3.21 110.409 -176.538 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -92.7 -20.5 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 2.24 110.501 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.0 -3.73 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 1.25 110.97 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.641 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.3 m -47.11 -48.04 8.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.568 -0.742 . . . . 1.08 112.704 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -60.73 -44.81 96.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.673 0.273 . . . . 1.61 111.261 -175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -42.34 90.97 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.987 -0.551 . . . . 0.63 112.594 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -72.75 -49.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.982 0.42 . . . . 1.24 110.685 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 81.9 mt -55.63 -44.19 76.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.662 -0.699 . . . . 1.19 111.938 -178.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.61 -7.88 8.7 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 121.115 -0.564 . . . . 0.91 114.065 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -83.84 -16.8 43.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.072 0.436 . . . . 2.68 110.915 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -142.31 135.74 29.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.044 0.45 . . . . 2.28 110.963 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -83.18 -16.83 45.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 5.06 110.43 177.208 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 72.13 -34.28 0.29 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.582 0.753 . . . . 3.08 111.674 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' B' ' 59' ' ' GLU . 3.8 tppp? 61.02 92.95 0.05 OUTLIER 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.459 0.647 . . . . 6.57 111.737 173.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.13 -32.46 2.18 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.718 -0.953 . . . . 3.92 110.718 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -93.46 149.3 21.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.218 -0.491 . . . . 4.2 110.661 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 179.32 -62.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.291 -0.868 . . . . 7.73 108.777 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 60.9 tp -148.05 121.8 9.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.52 -0.764 . . . . 7.31 109.4 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.77 -160.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.907 -0.588 . . . . 3.62 109.998 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -34.85 73.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.071 0.462 . . . . 5.67 110.244 173.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.54 96.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.598 -0.728 . . . . 3.78 110.754 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -73.26 -27.67 61.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.025 -0.534 . . . . 3.95 110.697 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.409 ' HB3' ' HB2' ' B' ' 15' ' ' TYR . 4.3 p-10 -81.56 19.64 1.0 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.887 -0.597 . . . . 2.68 111.456 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.0 t -62.96 136.88 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 3.44 110.637 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.551 -0.738 . . . . 4.3 110.21 179.48 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.675 0.274 . . . . 7.72 110.652 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 33.7 m -112.1 160.95 11.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.872 0.368 . . . . 5.59 111.018 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' B' ' 67' ' ' ASP . 9.7 t70 -129.39 23.86 5.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.621 0.724 . . . . 5.73 109.674 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -82.48 -172.86 4.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.163 -0.926 . . . . 3.08 109.972 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -157.86 167.27 30.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.014 0.435 . . . . 2.01 111.166 -175.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -95.33 135.06 37.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.724 -0.671 . . . . 2.01 109.941 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' B' ' 24' ' ' GLU . 19.0 pttp -68.51 -39.17 81.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.664 -0.698 . . . . 1.68 112.278 -173.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.91 -50.59 70.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 2.11 110.525 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.16 -35.66 81.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.533 -0.758 . . . . 1.68 111.278 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.453 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 18.6 mt -69.46 -43.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.741 -0.384 . . . . 1.68 110.724 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.9 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 1.02 111.006 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.25 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 1.19 110.652 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.56 -44.33 96.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.342 0.592 . . . . 2.28 109.479 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.414 HG12 HG12 ' B' ' 12' ' ' ILE . 89.7 mt -59.69 -53.05 53.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.957 -1.02 . . . . 1.12 112.04 -177.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.67 -35.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.517 -0.473 . . . . 1.02 110.795 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -59.09 -42.8 91.31 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.083 0.468 . . . . 0.67 110.442 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.492 ' O ' HG12 ' A' ' 19' ' ' ILE . 74.6 t80 -63.61 -50.15 70.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.772 -0.649 . . . . 2.29 110.767 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -65.02 -35.57 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.788 -0.365 . . . . 1.79 111.034 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 m -61.02 -40.22 92.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.937 -0.394 . . . . 1.48 109.937 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.6 t -66.97 -42.11 85.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 1.3 110.112 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 15' ' ' TYR . 42.3 mm -60.9 -47.96 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 1.1 111.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.65 -36.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.076 -0.25 . . . . 1.09 111.398 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.24 -43.92 96.7 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.905 0.383 . . . . 2.49 110.794 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -85.33 -1.36 56.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.264 0.554 . . . . 1.94 110.903 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 55.38 46.35 23.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.789 -1.096 . . . . 2.4 111.784 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -80.71 -3.46 50.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.77 -0.65 . . . . 1.83 110.568 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.8 tt -132.06 149.14 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.914 -0.585 . . . . 1.05 109.512 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -61.16 161.85 8.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 1.73 112.081 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -49.67 -57.05 7.96 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.29 0.848 . . . . 1.87 113.29 -172.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.56 -37.55 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 1.85 110.525 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -60.62 -47.09 92.89 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.758 -0.734 . . . . 0.36 111.557 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.22 82.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.671 0.272 . . . . 1.08 111.371 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.67 -39.82 92.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.851 0.358 . . . . 1.46 110.736 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 m -64.31 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 1.52 110.718 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 93.8 mt -76.13 -33.84 59.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.554 -0.294 . . . . 1.07 110.591 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.07 -49.82 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.23 110.659 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.2 m -68.79 -28.42 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 1.08 110.552 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.474 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -65.14 -53.29 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.98 110.511 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.07 -37.54 74.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.369 -0.378 . . . . 1.05 110.997 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.1 -46.33 85.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 1.68 110.676 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.77 -34.88 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.132 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 36' ' ' ALA . 91.9 mt -65.1 -49.16 80.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.141 0.496 . . . . 1.04 110.383 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.616 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 18.6 m -62.22 -40.43 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 1.73 110.471 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.54 -36.73 84.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 2.23 111.098 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.03 62.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.519 -0.31 . . . . 0.91 111.698 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.79 -5.78 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 2.01 111.434 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.13 9.81 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.43 113.19 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.616 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 21.5 p90 -141.46 170.0 16.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.017 0.408 . . . . 2.2 110.797 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -103.1 155.52 18.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 1.92 110.132 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -80.64 -14.98 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.156 0.503 . . . . 3.21 110.14 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.39 -8.07 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.864 -0.607 . . . . 2.23 110.608 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.56 -3.64 57.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 1.25 110.866 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.486 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.7 m -54.28 -41.08 50.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 112.828 0.677 . . . . 1.08 112.828 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 t -61.76 -50.97 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.372 . . . . 1.62 110.44 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.47 72.49 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.775 -0.648 . . . . 0.63 112.994 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -74.06 -53.84 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 1.24 111.015 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 90.2 mt -61.97 -17.92 58.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.469 -0.787 . . . . 1.19 113.074 -175.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.0 -5.85 66.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.546 -0.835 . . . . 0.91 113.043 -171.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -130.2 0.25 4.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.889 0.376 . . . . 2.69 110.734 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 55' ' ' LEU . 34.6 m -66.04 162.99 18.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.468 0.651 . . . . 2.28 112.011 -171.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -88.64 2.13 53.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.247 -0.888 . . . . 5.07 111.851 -171.247 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.428 ' CZ ' HG12 ' A' ' 8' ' ' ILE . 50.8 m-85 -51.26 143.37 11.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.924 0.392 . . . . 3.08 111.653 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -73.61 83.61 1.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.371 -0.603 . . . . 6.58 109.371 176.195 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.61 -148.22 19.8 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.724 -0.95 . . . . 3.93 110.724 -175.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 52.8 mm-40 67.1 130.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.398 0.679 . . . . 4.2 110.558 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 63' ' ' GLN . 50.9 m-70 78.98 -53.95 0.45 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.291 0.636 . . . . 7.72 109.595 -174.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.03 165.61 11.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.753 -0.658 . . . . 7.3 110.307 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 75.7 178.78 0.18 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.057 0.848 . . . . 3.61 111.979 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.428 ' HB2' ' HB3' ' B' ' 1' ' ' ASP . 10.2 m-20 -78.13 -45.68 22.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.363 -0.38 . . . . 5.67 110.185 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' A' ' 67' ' ' ASP . 59.4 mt 77.09 141.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.74 0.781 . . . . 3.77 111.899 174.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.32 -29.51 18.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.203 -0.908 . . . . 3.95 111.305 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -97.99 21.5 10.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.445 . . . . 2.67 111.844 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -48.63 116.0 1.45 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.425 0.453 . . . . 3.43 111.695 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.591 -0.718 . . . . 4.3 109.791 178.292 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.675 0.274 . . . . 7.73 110.517 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 33.6 m -112.01 161.34 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.024 0.44 . . . . 5.59 111.008 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' ' 67' ' ' ASP . 9.6 t70 -129.8 23.59 5.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.741 0.782 . . . . 5.72 109.729 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -82.47 -172.74 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.106 -0.952 . . . . 3.08 109.989 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -157.87 167.33 30.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.904 0.383 . . . . 2.01 111.179 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.1 m -95.29 134.99 37.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.698 -0.683 . . . . 2.01 109.984 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -68.38 -39.39 81.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.758 -0.656 . . . . 1.69 112.344 -173.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.86 -50.39 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.206 0.527 . . . . 2.11 110.61 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.06 -35.71 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.433 -0.803 . . . . 1.68 111.348 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.425 HG12 ' CZ ' ' B' ' 60' ' ' PHE . 18.6 mt -69.41 -43.46 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.67 -0.412 . . . . 1.67 110.7 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.66 -39.0 70.33 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.767 0.318 . . . . 1.02 111.028 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.35 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 1.18 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.46 -44.28 96.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.314 0.578 . . . . 2.28 109.494 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.414 HG12 HG12 ' A' ' 12' ' ' ILE . 89.1 mt -59.75 -52.94 55.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.945 -1.025 . . . . 1.12 112.07 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.73 -35.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.568 -0.453 . . . . 1.02 110.836 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -59.0 -42.75 90.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.68 110.397 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.498 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.6 t80 -63.78 -50.12 70.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 2.29 110.692 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -64.91 -35.56 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.824 -0.351 . . . . 1.79 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.5 m -60.98 -40.44 93.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.888 -0.412 . . . . 1.48 109.888 176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -66.72 -42.16 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 1.29 110.161 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.498 HG12 ' O ' ' B' ' 15' ' ' TYR . 42.4 mm -61.02 -47.89 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 1.09 111.308 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -74.81 -36.17 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.114 -0.235 . . . . 1.09 111.466 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.77 -43.36 96.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.984 0.421 . . . . 2.49 110.903 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -85.65 -1.42 57.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.129 0.49 . . . . 1.94 110.742 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.61 45.68 24.3 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.042 -0.981 . . . . 2.4 112.001 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.429 ' O ' ' HE2' ' A' ' 5' ' ' LYS . 43.4 mm-40 -80.16 -3.76 50.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.734 -0.666 . . . . 1.84 110.662 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 tt -131.64 149.25 32.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.818 -0.628 . . . . 1.05 109.504 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -61.44 162.12 8.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.168 0.433 . . . . 1.73 112.168 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -49.84 -57.17 7.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.25 0.833 . . . . 1.87 113.25 -171.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.48 -37.72 88.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.034 0.445 . . . . 1.84 110.435 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.402 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -60.33 -47.46 90.97 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.702 -0.761 . . . . 0.36 111.509 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.14 82.31 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.426 0.29 . . . . 1.08 111.446 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.55 -40.13 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.899 0.38 . . . . 1.47 110.643 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -64.15 -31.02 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 1.52 110.686 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 93.7 mt -75.96 -33.87 59.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.533 -0.303 . . . . 1.07 110.526 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -61.19 -49.57 76.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.403 -0.362 . . . . 0.23 110.735 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.92 -28.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 1.08 110.562 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -65.27 -53.4 44.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.98 110.366 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -57.97 -37.5 74.31 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.374 -0.376 . . . . 1.05 110.905 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.32 -46.15 86.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.565 -0.743 . . . . 1.68 110.701 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.71 -34.99 70.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 1.01 111.173 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 36' ' ' ALA . 91.7 mt -65.0 -49.14 81.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.131 0.491 . . . . 1.04 110.325 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.615 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -62.23 -40.45 96.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.572 -0.74 . . . . 1.73 110.552 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.39 -37.1 85.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.986 -0.552 . . . . 2.23 110.997 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -52.7 64.41 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.844 0.313 . . . . 0.91 111.844 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -91.31 -5.43 54.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 2.0 111.48 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.58 55.34 10.04 Favored Glycine 0 C--N 1.332 0.333 0 CA-C-N 115.461 -0.79 . . . . 0.43 113.163 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.615 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 21.3 p90 -141.77 169.76 16.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.92 0.36 . . . . 2.2 110.793 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -102.98 155.54 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.92 109.955 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -80.58 -15.17 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.056 0.455 . . . . 3.21 110.075 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.56 -7.24 55.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.966 -0.561 . . . . 2.24 110.736 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 -3.5 56.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.002 -0.544 . . . . 1.25 110.823 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 27.5 m -54.56 -41.44 54.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 115.762 -0.654 . . . . 1.08 112.764 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -61.14 -51.18 70.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 1.61 110.412 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.51 -38.89 72.25 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.903 -0.59 . . . . 0.63 113.188 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.33 -53.75 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.931 0.396 . . . . 1.24 111.106 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 89.9 mt -62.15 -18.02 59.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.348 -0.842 . . . . 1.19 112.991 -175.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.01 -5.68 65.96 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.571 -0.823 . . . . 0.91 112.984 -171.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -130.01 -0.17 4.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.819 0.309 . . . . 2.68 110.749 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.407 ' OG ' ' HA ' ' B' ' 55' ' ' LEU . 33.6 m -65.49 163.04 16.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.513 0.673 . . . . 2.28 112.058 -171.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' B' ' 59' ' ' GLU . 0.4 OUTLIER -88.76 2.13 53.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.16 -0.927 . . . . 5.06 111.937 -171.432 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.425 ' CZ ' HG12 ' B' ' 8' ' ' ILE . 51.7 m-85 -51.14 143.44 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 3.08 111.637 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' B' ' 61' ' ' LYS . 0.1 OUTLIER -73.77 84.01 1.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.257 -0.645 . . . . 6.57 109.257 176.054 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.21 -148.34 20.02 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.835 -0.906 . . . . 3.92 110.835 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.522 ' O ' ' HB2' ' B' ' 64' ' ' HIS . 52.5 mm-40 67.15 130.46 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.346 0.658 . . . . 4.2 110.535 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' B' ' 63' ' ' GLN . 50.5 m-70 78.8 -53.62 0.46 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.329 0.652 . . . . 7.73 109.648 -174.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.12 165.55 11.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.739 -0.664 . . . . 7.31 110.28 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 75.63 178.55 0.19 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.081 0.863 . . . . 3.62 112.064 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.417 ' O ' ' HB ' ' B' ' 68' ' ' ILE . 11.4 m-20 -78.15 -45.36 23.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.171 -0.468 . . . . 5.67 110.04 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 59.1 mt 76.81 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.668 0.747 . . . . 3.78 111.887 174.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.14 -29.8 18.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.28 -0.873 . . . . 3.95 111.218 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -97.73 21.22 10.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.387 . . . . 2.68 111.915 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -48.5 115.4 1.22 Allowed 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.413 0.446 . . . . 3.44 111.597 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.538 -0.744 . . . . 4.3 109.744 178.271 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.992 0.425 . . . . 7.72 110.629 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.14 161.59 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.775 0.322 . . . . 5.59 110.502 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -99.96 19.04 16.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.263 -0.426 . . . . 5.73 111.106 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -48.32 -52.11 23.0 Favored 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 109.359 -0.608 . . . . 3.08 109.359 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.72 130.23 55.36 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 107.722 -1.214 . . . . 2.01 107.722 165.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.2 m -101.7 137.06 40.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.466 0.65 . . . . 2.01 109.892 -175.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.537 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 17.9 pttp -59.4 -36.27 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.571 -1.195 . . . . 1.68 113.042 -170.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.29 -43.48 86.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.69 0.281 . . . . 2.11 110.724 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.29 -50.91 69.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.293 0.568 . . . . 1.68 110.3 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.415 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 mm -65.54 -45.56 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.397 -0.82 . . . . 1.68 110.856 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.36 71.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.687 0.28 . . . . 1.02 111.416 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 1.19 110.491 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.12 -40.21 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.856 -0.611 . . . . 2.28 109.734 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.439 HG12 HG12 ' B' ' 12' ' ' ILE . 74.3 mt -62.02 -54.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 1.12 112.196 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.8 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 1.02 110.986 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.05 -37.35 76.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.185 0.517 . . . . 0.67 110.312 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.521 ' OH ' ' HA ' ' B' ' 5' ' ' LYS . 83.6 t80 -63.48 -51.85 63.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 2.29 110.616 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.39 -35.29 80.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.559 -0.292 . . . . 1.79 110.71 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -60.9 -35.51 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.12 0.486 . . . . 1.48 110.026 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 48.6 m -73.93 -41.14 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 1.3 110.974 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.9 mm -63.05 -44.02 99.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.45 -0.341 . . . . 1.1 111.1 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -74.22 -31.63 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.684 -0.235 . . . . 1.09 110.957 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.49 -50.92 72.0 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.333 0.587 . . . . 2.49 110.633 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 18' ' ' SER . 46.1 mttm -86.37 -3.2 58.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 1.94 110.968 -174.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.95 45.22 29.25 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.667 -1.152 . . . . 2.4 112.197 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.05 9.09 15.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.83 110.568 177.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.15 151.24 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 1.05 109.253 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -54.2 140.41 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 1.73 110.168 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.95 -27.43 69.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.932 -0.576 . . . . 1.87 112.02 -170.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.79 -46.6 78.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.282 0.563 . . . . 1.85 109.506 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.32 -34.8 86.38 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.339 -0.846 . . . . 0.36 111.81 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.93 83.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.709 0.29 . . . . 1.08 110.981 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.88 -37.53 84.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 1.46 110.352 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -65.59 -33.03 74.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.802 -0.636 . . . . 1.52 110.26 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.32 -34.6 65.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 1.07 110.468 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -60.22 -51.53 69.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.23 110.794 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.2 -28.65 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 1.08 110.763 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.99 -49.8 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.274 -0.421 . . . . 0.98 110.329 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.8 -37.64 76.79 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.118 -0.492 . . . . 1.05 111.647 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -41.63 99.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 1.68 111.055 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.64 -34.78 78.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.441 . . . . 1.0 110.405 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.7 mt -69.02 -47.07 77.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.524 . . . . 1.04 110.709 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.499 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 11.7 p -65.56 -37.43 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 1.73 111.011 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.01 -37.53 85.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 2.23 110.802 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -51.62 53.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.91 112.038 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 84.6 m-85 -94.62 -7.39 41.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.152 0.427 . . . . 2.01 112.152 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.75 30.11 Favored Glycine 0 C--O 1.229 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.43 113.066 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 14.9 p90 -135.28 165.01 26.42 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.642 -0.328 . . . . 2.2 110.554 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.98 149.51 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 1.92 110.032 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -20.73 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.008 0.432 . . . . 3.21 110.402 -173.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.01 -7.43 45.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 2.23 110.785 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.5 1.53 57.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.108 -0.496 . . . . 1.25 110.574 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.83 -36.59 15.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 115.455 -0.793 . . . . 1.08 112.755 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -61.86 -46.96 87.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.311 . . . . 1.62 110.776 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -39.42 83.78 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.861 -0.609 . . . . 0.63 112.825 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.29 -54.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.727 0.298 . . . . 1.24 111.069 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.3 -42.16 94.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 1.19 111.807 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.14 -14.69 33.57 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 121.015 -0.612 . . . . 0.91 113.752 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -84.29 -20.13 32.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.037 0.446 . . . . 2.69 110.395 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.7 m -119.63 120.59 37.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.07 0.462 . . . . 2.28 111.296 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.54 -36.26 33.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 5.07 111.092 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 63.13 119.37 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.769 0.668 . . . . 3.08 111.561 -176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.88 53.7 2.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.717 0.77 . . . . 6.58 109.973 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.68 -39.88 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.05 -0.977 . . . . 3.93 111.025 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HA ' ' OD1' ' A' ' 67' ' ' ASP . 27.1 mt-30 -58.86 126.22 26.77 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.654 -0.273 . . . . 4.2 110.321 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -165.27 -39.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.193 0.442 . . . . 7.72 112.193 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -147.77 124.64 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.705 -0.398 . . . . 7.3 110.866 -171.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 73.22 -42.12 0.52 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.709 0.804 . . . . 3.61 111.753 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.417 ' OD1' ' HA ' ' A' ' 63' ' ' GLN . 3.7 p30 -63.9 -24.09 67.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.179 -0.464 . . . . 5.67 111.06 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.7 mt -82.64 -9.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.137 0.494 . . . . 3.77 110.29 -176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.47 -44.31 89.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 3.95 109.903 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -104.95 18.51 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.119 -0.491 . . . . 2.67 111.045 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -98.79 105.63 17.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.782 -0.451 . . . . 3.43 109.782 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 O-C-N 123.69 0.619 . . . . 4.3 110.963 -177.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.091 0.472 . . . . 7.73 110.657 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.89 161.34 40.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 5.59 110.403 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.53 18.4 18.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.29 -0.413 . . . . 5.72 111.096 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t -48.02 -52.07 21.43 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.431 -0.581 . . . . 3.08 109.431 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.87 130.03 55.42 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.627 -1.249 . . . . 2.01 107.627 165.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 46.7 m -101.58 136.95 40.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.398 0.618 . . . . 2.01 109.862 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.521 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 17.9 pttp -59.37 -36.33 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.615 -1.175 . . . . 1.69 113.036 -170.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.17 -43.58 86.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.811 0.338 . . . . 2.11 110.724 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.18 -50.9 69.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.239 0.542 . . . . 1.68 110.394 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.412 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.6 mm -65.57 -45.45 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.84 . . . . 1.67 110.779 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.28 71.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.669 0.271 . . . . 1.02 111.432 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 1.18 110.464 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.865 -0.607 . . . . 2.28 109.697 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.439 HG12 HG12 ' A' ' 12' ' ' ILE . 74.4 mt -62.01 -54.84 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.145 -0.934 . . . . 1.12 112.17 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.8 -35.31 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.568 -0.453 . . . . 1.02 110.935 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -59.19 -37.41 77.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.167 0.508 . . . . 0.68 110.228 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.537 ' OH ' ' HA ' ' A' ' 5' ' ' LYS . 83.0 t80 -63.23 -51.85 64.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.643 -0.708 . . . . 2.29 110.705 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.635 -0.257 . . . . 1.79 110.801 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -61.17 -35.1 76.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 1.48 110.19 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' B' ' 22' ' ' LYS . 46.5 m -74.41 -40.9 61.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.679 -0.691 . . . . 1.29 110.896 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.411 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.6 mm -63.12 -43.93 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 1.09 111.155 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.37 -31.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.608 -0.269 . . . . 1.09 110.81 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.42 -50.53 73.37 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.317 0.579 . . . . 2.49 110.605 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' B' ' 18' ' ' SER . 46.4 mttm -86.83 -3.02 59.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.497 -0.774 . . . . 1.94 110.831 -174.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.72 45.19 29.17 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.686 -1.143 . . . . 2.4 112.247 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.14 9.35 15.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 1.84 110.615 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.39 151.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.612 -0.722 . . . . 1.05 109.155 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.23 140.54 32.42 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.375 0.422 . . . . 1.73 110.143 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.31 -26.81 68.94 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 1.87 112.13 -170.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -46.88 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.567 -0.531 . . . . 1.84 109.567 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -34.67 87.8 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.324 -0.853 . . . . 0.36 111.932 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.26 83.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.717 0.294 . . . . 1.08 110.963 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.76 -37.41 84.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.087 0.47 . . . . 1.47 110.438 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.48 -33.29 75.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 1.52 110.184 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.93 -34.77 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 1.07 110.518 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.18 -51.5 69.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.23 110.788 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.18 -28.66 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 1.08 110.797 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.91 -49.85 73.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 0.98 110.319 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.96 -37.73 77.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 1.05 111.588 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -41.9 99.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.698 0.285 . . . . 1.68 111.02 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.74 -34.73 78.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 1.01 110.528 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.0 mt -68.89 -47.23 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 1.04 110.64 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 12.3 p -65.65 -36.95 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 1.73 111.126 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -62.45 -37.39 85.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 2.23 110.795 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -51.36 55.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.91 112.13 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 84.6 m-85 -95.01 -6.88 41.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.112 0.412 . . . . 2.0 112.112 -174.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 47.62 32.79 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.43 113.102 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 14.7 p90 -135.07 165.47 25.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.771 0.32 . . . . 2.2 110.538 -178.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -98.2 149.4 22.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.947 -0.57 . . . . 1.92 110.061 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.78 42.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 3.21 110.453 -173.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.96 -7.49 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.194 0.521 . . . . 2.24 110.824 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.35 1.38 57.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 1.25 110.632 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.78 -36.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.483 -0.781 . . . . 1.08 112.729 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -61.95 -46.45 89.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 1.61 110.832 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.58 -39.91 86.26 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.63 112.789 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -75.13 -54.77 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 1.24 111.065 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.93 -42.46 94.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.536 . . . . 1.19 111.784 -176.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.94 -15.03 33.72 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.011 -0.614 . . . . 0.91 113.811 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -83.88 -20.64 32.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.169 0.509 . . . . 2.68 110.436 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 12.8 m -119.09 120.37 36.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 2.28 111.296 -173.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.33 -36.49 34.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 5.06 111.136 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 63.7 119.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.208 0.528 . . . . 3.08 111.505 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.55 53.57 1.88 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.7 0.762 . . . . 6.57 110.101 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.72 -39.81 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.041 -0.981 . . . . 3.92 110.913 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.414 ' HA ' ' OD1' ' B' ' 67' ' ' ASP . 27.1 mt-30 -58.94 126.08 26.24 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.739 -0.231 . . . . 4.2 110.446 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -165.26 -39.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.307 0.484 . . . . 7.73 112.307 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -147.76 124.26 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.704 -0.398 . . . . 7.31 110.893 -171.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 73.42 -41.85 0.51 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.73 0.812 . . . . 3.62 111.711 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.414 ' OD1' ' HA ' ' B' ' 63' ' ' GLN . 3.7 p30 -64.19 -23.93 67.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.112 -0.494 . . . . 5.67 110.958 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 35.9 mt -82.48 -10.23 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.094 0.473 . . . . 3.78 110.35 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.41 -43.84 88.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 3.95 110.02 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -105.1 18.47 22.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.461 . . . . 2.68 111.029 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -98.96 105.1 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.893 -0.41 . . . . 3.44 109.893 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 O-C-N 123.73 0.644 . . . . 4.3 110.641 -177.36 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.692 0.282 . . . . 7.72 110.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 31.0 m -106.62 158.36 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 5.59 111.014 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -179.33 79.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.915 -0.772 . . . . 5.73 108.915 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -66.14 149.98 49.46 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.634 -0.712 . . . . 3.08 110.843 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.77 -175.86 0.44 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.049 -0.723 . . . . 2.01 109.049 170.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.413 ' HB2' ' HG3' ' A' ' 7' ' ' GLU . 36.2 m -101.63 136.01 42.18 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.822 -0.549 . . . . 2.01 109.547 -175.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -70.08 -19.58 63.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.825 -0.625 . . . . 1.68 110.917 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.97 -41.01 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.98 -0.554 . . . . 2.11 110.499 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.626 ' OE2' ' HA ' ' A' ' 58' ' ' SER . 39.8 mt-10 -61.15 -46.46 90.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.191 0.519 . . . . 1.68 110.242 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.542 HD13 ' CZ ' ' B' ' 15' ' ' TYR . 44.9 mt -70.12 -46.57 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 1.68 110.726 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.99 65.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.616 0.246 . . . . 1.02 111.343 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.94 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 1.19 110.504 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.1 -40.8 86.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 2.28 110.6 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 8' ' ' ILE . 77.3 mt -60.55 -57.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 1.12 111.881 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.62 -35.88 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.896 -0.321 . . . . 1.02 110.803 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -58.82 -42.19 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.67 110.591 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.545 ' CZ ' HD13 ' B' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.21 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 2.29 111.043 -176.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.1 -38.75 92.41 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.88 -0.328 . . . . 1.79 110.422 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -62.59 -35.66 80.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 1.48 110.042 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -72.91 -43.65 62.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.3 110.479 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 15' ' ' TYR . 36.9 mm -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 1.1 111.41 -179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.42 -33.78 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.019 -0.272 . . . . 1.09 111.0 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.37 -48.37 81.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.921 0.391 . . . . 2.49 110.653 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -80.76 -4.0 52.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.023 -0.535 . . . . 1.94 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt 55.67 41.92 29.96 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.066 -0.97 . . . . 2.4 111.782 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.89 5.9 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.945 0.403 . . . . 1.83 111.1 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.454 HD11 ' CE1' ' B' ' 44' ' ' PHE . 15.8 tt -130.59 146.68 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.481 -0.563 . . . . 1.05 109.481 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -57.79 151.57 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.231 -0.44 . . . . 1.73 111.308 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -50.21 -48.16 54.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.227 0.454 . . . . 1.87 112.227 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.17 -41.98 80.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.287 0.565 . . . . 1.85 110.8 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -68.28 -41.25 86.47 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.36 112.066 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.672 0.249 . . . . 1.08 111.672 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.27 -39.72 87.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 1.46 110.669 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.34 -30.38 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 1.52 110.556 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.93 -33.41 57.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.305 . . . . 1.07 110.757 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -63.3 -48.36 78.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.23 110.795 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 m -68.09 -29.85 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 1.08 110.397 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.296 -0.411 . . . . 0.98 110.477 176.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.2 mtm -56.74 -38.1 71.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 1.05 111.407 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.85 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 1.68 110.763 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.6 m -64.68 -36.38 84.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.311 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 36' ' ' ALA . 87.8 mt -66.09 -49.43 76.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.487 . . . . 1.04 110.4 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.459 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 14.9 m -64.12 -39.4 93.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 1.73 110.775 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.84 -27.56 67.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 2.23 111.08 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -51.4 24.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.545 -0.298 . . . . 0.91 111.354 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.456 ' CE1' HD11 ' B' ' 25' ' ' ILE . 74.6 m-85 -93.48 -6.21 47.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 2.01 111.9 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.06 54.3 28.46 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.43 112.973 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 17.1 p90 -136.81 166.79 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.856 0.328 . . . . 2.2 110.528 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -96.96 147.36 24.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 1.92 109.879 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -81.08 -18.3 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.138 0.494 . . . . 3.21 110.057 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -84.96 -4.17 59.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 2.23 110.411 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.89 1.26 56.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.837 -0.62 . . . . 1.25 110.839 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.648 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 m -55.28 -39.4 51.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-N 116.083 -0.508 . . . . 1.08 111.83 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 p -57.06 -56.93 15.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.777 0.322 . . . . 1.62 110.967 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.18 -38.55 56.64 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.745 -0.662 . . . . 0.63 113.375 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -45.74 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.843 0.322 . . . . 1.24 111.091 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt -61.4 -41.44 97.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.249 -0.432 . . . . 1.19 111.322 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.45 -13.68 60.98 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.456 -0.878 . . . . 0.91 112.322 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -99.6 -7.81 25.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.967 0.413 . . . . 2.69 110.517 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.626 ' HA ' ' OE2' ' A' ' 7' ' ' GLU . 94.9 p -69.14 140.41 54.72 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.19 0.519 . . . . 2.28 111.626 -173.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -91.14 0.93 57.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.704 -0.68 . . . . 5.07 110.975 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -64.88 136.23 56.63 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.997 -0.547 . . . . 3.08 110.713 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -101.11 144.12 30.4 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.573 -0.739 . . . . 6.58 110.602 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.49 13.84 49.75 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.717 -0.754 . . . . 3.93 111.319 -174.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -72.22 -166.33 0.24 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.783 -0.208 . . . . 4.2 111.184 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.7 m80 66.81 132.08 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.856 -0.611 . . . . 7.72 109.81 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 68' ' ' ILE . 2.5 pt? -60.29 121.3 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.281 0.563 . . . . 7.3 111.742 -172.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -170.22 -75.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.102 -0.954 . . . . 3.61 109.554 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.68 -34.15 30.85 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.527 -0.916 . . . . 5.67 108.527 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 16.5 pt -119.74 109.12 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.415 -1.266 . . . . 3.77 109.608 172.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 pp -81.8 -2.49 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.692 0.282 . . . . 3.95 111.347 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.34 3.65 5.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.124 0.488 . . . . 2.67 111.828 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -68.38 -24.81 64.82 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.164 -0.335 . . . . 3.43 110.18 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.454 -0.794 . . . . 4.3 111.413 178.639 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.795 0.331 . . . . 7.73 110.543 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 30.7 m -106.25 158.67 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.807 0.337 . . . . 5.59 110.81 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -179.71 80.21 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.661 -0.866 . . . . 5.72 108.661 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -66.24 149.88 49.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.639 -0.71 . . . . 3.08 110.81 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.64 -175.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.502 -0.772 . . . . 2.01 109.077 170.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.416 ' HB2' ' HG3' ' B' ' 7' ' ' GLU . 34.1 m -101.66 135.96 42.31 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.851 -0.53 . . . . 2.01 109.595 -175.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -70.0 -19.56 63.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.798 -0.637 . . . . 1.69 110.936 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.09 -40.93 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.972 -0.558 . . . . 2.11 110.495 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.63 ' OE2' ' HA ' ' B' ' 58' ' ' SER . 39.5 mt-10 -61.16 -46.53 90.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.066 -0.515 . . . . 1.68 110.258 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.545 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 45.2 mt -70.12 -46.5 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.528 -0.76 . . . . 1.67 110.78 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.57 -39.84 65.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.601 0.238 . . . . 1.02 111.338 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.82 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 1.18 110.545 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.11 -40.7 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.002 0.43 . . . . 2.28 110.672 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.529 HG13 ' O ' ' B' ' 8' ' ' ILE . 77.3 mt -60.75 -57.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.534 -0.757 . . . . 1.12 111.758 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.38 -36.1 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.943 -0.303 . . . . 1.02 110.808 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -58.92 -41.96 88.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.68 110.694 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.542 ' CZ ' HD13 ' A' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.3 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 2.29 110.956 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.15 -38.6 91.81 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.899 -0.32 . . . . 1.79 110.441 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -62.83 -35.27 79.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 1.48 110.118 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -73.17 -43.66 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 1.29 110.443 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.409 HG12 ' O ' ' B' ' 15' ' ' TYR . 37.0 mm -61.02 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 1.09 111.324 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -72.28 -33.91 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 121.029 -0.269 . . . . 1.09 110.997 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.37 -48.42 81.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.098 0.475 . . . . 2.49 110.672 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -80.77 -3.95 52.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.979 -0.555 . . . . 1.94 111.04 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt 55.65 41.73 30.2 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.984 -1.007 . . . . 2.4 111.789 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.79 5.86 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 1.84 111.002 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.456 HD11 ' CE1' ' A' ' 44' ' ' PHE . 15.9 tt -130.54 146.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.525 -0.546 . . . . 1.05 109.525 177.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -57.81 151.61 17.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.283 -0.417 . . . . 1.73 111.381 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.1 -48.03 53.51 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.267 0.469 . . . . 1.87 112.267 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.41 -42.35 82.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.092 0.473 . . . . 1.84 110.683 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.79 -41.53 88.51 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.566 -0.743 . . . . 0.36 112.058 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.28 -48.97 75.56 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 111.63 0.233 . . . . 1.08 111.63 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.23 -39.6 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.443 . . . . 1.47 110.707 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -65.45 -30.54 71.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 1.52 110.581 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 90.7 mt -76.85 -33.26 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 1.07 110.724 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.4 -48.39 78.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.248 -0.433 . . . . 0.23 110.772 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.21 -29.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.946 -0.301 . . . . 1.08 110.467 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.46 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.97 -50.3 69.11 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.203 -0.453 . . . . 0.98 110.475 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.1 mtm -56.54 -38.51 71.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.328 -0.396 . . . . 1.05 111.327 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.85 -48.3 82.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.511 . . . . 1.68 110.665 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 86.3 m -64.94 -36.38 84.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 1.01 111.28 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 36' ' ' ALA . 88.1 mt -66.05 -49.22 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.219 0.533 . . . . 1.04 110.474 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.461 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.1 m -64.64 -39.28 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.622 -0.717 . . . . 1.73 110.717 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.85 -26.8 67.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.03 -0.532 . . . . 2.23 111.229 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.07 -51.17 22.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.707 0.289 . . . . 0.91 111.412 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.454 ' CE1' HD11 ' A' ' 25' ' ' ILE . 74.9 m-85 -93.35 -7.16 45.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 2.0 111.889 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.8 54.11 27.14 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.43 113.053 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 17.1 p90 -136.8 166.3 23.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.888 0.344 . . . . 2.2 110.45 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -96.61 147.32 24.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 1.92 109.758 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -80.9 -18.54 46.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.988 0.423 . . . . 3.21 110.115 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.56 -4.85 59.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 2.24 110.418 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.2 0.96 57.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 1.25 110.739 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.654 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 17.3 m -54.95 -39.45 49.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 1.08 111.857 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.8 p -57.15 -56.98 14.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.857 0.36 . . . . 1.61 110.897 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.42 -38.12 57.0 Favored Glycine 0 CA--C 1.52 0.382 0 CA-C-N 115.684 -0.689 . . . . 0.63 113.305 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.5 mt -74.49 -45.83 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.025 0.413 . . . . 1.24 111.081 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 23.9 mt -61.58 -41.21 97.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.324 -0.398 . . . . 1.19 111.279 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.65 -13.17 60.61 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.522 -0.847 . . . . 0.91 112.556 174.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -99.8 -8.32 24.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.091 0.472 . . . . 2.68 110.547 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.63 ' HA ' ' OE2' ' B' ' 7' ' ' GLU . 91.9 p -68.56 140.68 55.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 2.28 111.505 -173.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -91.54 0.91 57.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.696 -0.684 . . . . 5.06 110.977 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -64.86 136.69 57.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 3.08 110.75 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -101.27 144.09 30.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.654 -0.703 . . . . 6.57 110.463 -175.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.46 14.1 48.87 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.647 -0.787 . . . . 3.92 111.286 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -72.43 -166.58 0.27 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.708 -0.246 . . . . 4.2 111.095 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 53.0 m80 67.1 132.04 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.821 -0.627 . . . . 7.73 109.676 -169.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' B' ' 68' ' ' ILE . 2.5 pt? -60.14 121.35 11.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.345 0.593 . . . . 7.31 111.735 -172.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -170.18 -76.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.081 -0.963 . . . . 3.62 109.377 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -81.76 -33.97 30.67 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.46 -0.941 . . . . 5.67 108.46 172.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' B' ' 65' ' ' LEU . 16.6 pt -119.81 109.21 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.505 -1.225 . . . . 3.78 109.559 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.94 -2.44 51.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.841 0.353 . . . . 3.95 111.449 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -73.33 3.69 5.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.134 0.492 . . . . 2.68 111.778 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -68.47 -24.85 64.74 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.175 -0.328 . . . . 3.44 110.228 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.576 -0.738 . . . . 4.3 111.467 178.536 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.162 0.505 . . . . 7.72 111.211 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 13.5 m -105.1 -178.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 5.59 110.126 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 55.62 24.55 7.15 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.685 0.755 . . . . 5.73 111.293 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -110.35 179.78 3.99 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.697 -0.683 . . . . 3.08 109.904 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.85 161.56 0.25 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.001 0.813 . . . . 2.01 111.11 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.7 t -107.73 147.02 31.33 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.462 0.649 . . . . 2.01 109.965 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -73.57 -18.46 61.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.069 -0.969 . . . . 1.68 109.957 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.18 -42.54 93.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.496 -0.774 . . . . 2.11 110.121 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 58' ' ' SER . 41.0 mt-10 -58.16 -51.19 70.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.408 0.623 . . . . 1.68 110.564 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.49 HD11 ' CZ ' ' B' ' 15' ' ' TYR . 49.1 mt -66.9 -43.1 89.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.206 -0.907 . . . . 1.68 110.943 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.63 72.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.508 0.195 . . . . 1.02 111.217 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -46.54 90.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 1.19 110.74 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.22 -43.45 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.484 . . . . 2.28 110.328 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 8' ' ' ILE . 85.5 mt -59.29 -54.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.152 -0.931 . . . . 1.12 112.067 -176.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.61 -39.78 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.696 -0.402 . . . . 1.02 111.001 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.76 -33.93 73.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.44 . . . . 0.67 110.517 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.48 ' O ' HG12 ' A' ' 19' ' ' ILE . 55.1 t80 -65.88 -50.43 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 2.29 110.803 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.25 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.986 -0.286 . . . . 1.79 110.497 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.627 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 49.0 m -61.05 -43.87 98.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.248 -0.433 . . . . 1.48 109.848 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -65.06 -38.15 89.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.316 -0.402 . . . . 1.3 110.473 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 15' ' ' TYR . 45.7 mm -61.85 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.491 -0.322 . . . . 1.1 111.223 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -75.71 -28.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.063 -0.255 . . . . 1.09 111.092 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 17' ' ' SER . 29.0 mm-40 -64.84 -47.8 76.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.956 0.408 . . . . 2.49 110.602 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.81 -11.26 59.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.94 111.022 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.31 40.99 32.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.938 -1.028 . . . . 2.4 111.647 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.1 8.23 6.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.964 -0.562 . . . . 1.83 111.143 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.49 149.42 24.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.586 -0.524 . . . . 1.05 109.586 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -58.28 148.16 28.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.11 0.481 . . . . 1.73 110.06 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.42 -28.38 69.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.337 -0.847 . . . . 1.87 112.324 -170.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 1.85 109.732 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -39.02 90.12 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.36 111.453 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.42 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 1.08 111.132 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.24 -39.68 91.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 1.46 110.472 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -63.8 -34.48 78.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.984 -0.553 . . . . 1.52 110.265 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.32 -37.01 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.826 0.346 . . . . 1.07 110.522 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -59.81 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.23 110.826 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.5 m -71.8 -31.75 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.846 -0.342 . . . . 1.08 110.667 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -59.4 -52.98 63.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.74 0.305 . . . . 0.98 110.404 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mtm -57.02 -38.81 73.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.114 -0.494 . . . . 1.05 111.375 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -45.96 90.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 1.68 110.606 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.88 -40.48 95.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.764 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 36' ' ' ALA . 83.2 mt -64.16 -47.69 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 1.04 110.349 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.572 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 22.3 m -62.15 -41.38 98.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.681 . . . . 1.73 110.825 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.3 -41.35 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 2.23 110.834 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.96 94.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.91 112.146 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -104.6 -3.49 23.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.886 0.374 . . . . 2.01 111.801 -176.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.8 46.14 54.73 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.896 -0.593 . . . . 0.43 113.386 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 16.8 p90 -133.75 165.1 25.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.752 0.276 . . . . 2.2 110.394 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.49 154.25 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.133 -0.485 . . . . 1.92 109.811 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -81.01 -22.4 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.232 -0.655 . . . . 3.21 109.232 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.9 -12.03 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.376 -0.829 . . . . 2.23 110.751 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.78 3.81 53.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 1.25 110.926 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.632 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 8.0 m -49.42 -45.21 18.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 115.824 -0.625 . . . . 1.08 112.068 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -56.28 -48.89 75.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 1.62 111.305 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.22 -45.31 52.21 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.646 -0.706 . . . . 0.63 112.953 175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.9 mt -76.65 -40.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.536 . . . . 1.24 110.772 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 63.9 mt -68.48 -17.65 64.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.866 -0.606 . . . . 1.19 111.907 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.43 -18.52 58.65 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.102 -1.047 . . . . 0.91 111.078 -174.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -107.32 5.81 27.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.034 0.445 . . . . 2.69 110.136 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.414 ' HA ' ' OE1' ' A' ' 7' ' ' GLU . 23.1 t -85.39 148.33 26.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.933 -0.576 . . . . 2.28 110.325 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -82.0 -11.19 58.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.531 . . . . 5.07 110.248 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.436 ' CE1' HD12 ' B' ' 65' ' ' LEU . 91.1 m-85 -75.98 92.71 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 3.08 110.243 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -83.06 54.82 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.637 -0.71 . . . . 6.58 110.796 -175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.22 11.33 83.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.933 -0.651 . . . . 3.93 112.519 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 63.41 -170.42 0.18 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.671 0.388 . . . . 4.2 111.268 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -75.77 -38.95 57.86 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.697 -0.401 . . . . 7.72 110.827 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD12 ' CE1' ' B' ' 60' ' ' PHE . 86.4 mt -92.39 135.75 33.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.404 -0.362 . . . . 7.3 110.716 -176.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.62 4.28 22.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 3.61 111.669 -175.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.43 -19.57 52.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.466 -0.334 . . . . 5.67 110.609 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.47 84.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.406 0.622 . . . . 3.77 110.237 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -86.44 -6.67 58.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.766 -0.652 . . . . 3.95 110.822 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -85.89 18.93 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 2.67 110.762 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 p -97.71 179.01 4.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.945 -0.57 . . . . 3.43 110.163 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.61 -0.71 . . . . 4.3 110.157 177.009 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 121.242 0.544 . . . . 7.73 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 13.3 m -105.04 -178.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 5.59 110.105 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.0 t70 55.5 24.89 7.24 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.672 0.748 . . . . 5.72 111.214 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -110.61 179.77 3.98 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.713 -0.676 . . . . 3.08 109.985 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 74.17 161.84 0.25 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.962 0.789 . . . . 2.01 111.127 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 32.3 t -108.22 146.98 32.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.482 0.658 . . . . 2.01 109.864 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -73.63 -18.4 61.05 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.046 -0.979 . . . . 1.69 109.906 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.26 -42.5 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.795 . . . . 2.11 110.096 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.434 ' OE1' ' HA ' ' B' ' 58' ' ' SER . 40.8 mt-10 -58.17 -51.16 70.88 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.461 0.648 . . . . 1.68 110.621 177.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.474 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 49.1 mt -66.88 -43.12 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.216 -0.902 . . . . 1.67 110.989 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.71 71.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.669 0.271 . . . . 1.02 111.33 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.39 90.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 1.18 110.697 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.37 -43.42 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 2.28 110.311 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 8' ' ' ILE . 85.1 mt -59.33 -54.69 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.165 -0.925 . . . . 1.12 112.072 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.76 -39.64 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.66 -0.416 . . . . 1.02 111.047 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -60.75 -33.93 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.982 0.42 . . . . 0.68 110.555 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.49 ' CZ ' HD11 ' A' ' 8' ' ' ILE . 55.1 t80 -66.04 -50.26 64.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 2.29 110.77 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.32 -32.88 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.665 0.269 . . . . 1.79 110.479 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.626 ' O ' ' HG2' ' B' ' 21' ' ' GLU . 49.6 m -61.03 -43.94 98.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 1.48 109.925 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -65.02 -38.24 90.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 1.29 110.532 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.483 HG12 ' O ' ' B' ' 15' ' ' TYR . 45.6 mm -61.58 -43.33 96.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.467 -0.333 . . . . 1.09 111.233 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.82 -27.9 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.931 -0.308 . . . . 1.09 111.052 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' B' ' 17' ' ' SER . 27.6 mm-40 -65.04 -47.67 76.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.39 . . . . 2.49 110.469 173.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -75.8 -11.2 59.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.21 0.529 . . . . 1.94 111.036 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.57 40.41 31.83 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 114.879 -1.055 . . . . 2.4 111.648 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -78.9 8.75 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 1.84 111.14 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.95 149.13 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.654 -0.499 . . . . 1.05 109.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -57.87 147.87 27.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.16 0.505 . . . . 1.73 109.983 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.55 -28.24 69.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.832 . . . . 1.87 112.335 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -71.16 -40.3 71.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 1.84 109.699 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.81 -39.04 89.96 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.407 -0.677 . . . . 0.36 111.407 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.37 81.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.763 0.316 . . . . 1.08 111.15 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.43 -39.2 89.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.951 0.405 . . . . 1.47 110.568 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.4 t -63.96 -34.83 78.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 1.52 110.199 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.99 -37.01 75.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.411 -0.359 . . . . 1.07 110.584 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -59.86 -48.59 81.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.23 110.879 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.7 -31.7 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.791 -0.364 . . . . 1.08 110.678 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.463 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -59.44 -52.99 63.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 120.655 0.264 . . . . 0.98 110.404 175.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.6 mtm -56.98 -38.91 73.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.16 -0.473 . . . . 1.05 111.388 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.37 -46.09 90.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.68 110.577 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.94 -40.48 95.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 1.01 110.606 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.8 mt -64.3 -47.5 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 1.04 110.33 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.581 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 22.2 m -62.24 -41.24 98.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.772 -0.649 . . . . 1.73 110.779 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.64 -40.72 97.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 2.23 110.92 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.78 95.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.965 -0.562 . . . . 0.91 112.053 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -104.56 -3.6 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.644 -0.422 . . . . 2.0 111.801 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.91 46.31 53.1 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.43 113.332 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.581 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 16.8 p90 -133.79 165.22 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.896 0.348 . . . . 2.2 110.367 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.26 154.24 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.188 -0.46 . . . . 1.92 109.937 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 3.21 109.201 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.6 -11.85 52.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 2.24 110.699 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.85 3.87 53.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 1.25 110.958 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.632 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 8.2 m -49.57 -45.37 19.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.784 -0.644 . . . . 1.08 112.07 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 1.61 111.133 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.23 -45.02 52.46 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.647 -0.706 . . . . 0.63 113.052 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 56.6 mt -76.89 -40.61 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.172 0.51 . . . . 1.24 110.801 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 63.2 mt -68.49 -17.6 64.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.828 -0.624 . . . . 1.19 112.011 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.11 -19.22 57.86 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.226 -0.987 . . . . 0.91 111.065 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -106.87 5.63 28.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.05 0.452 . . . . 2.68 110.059 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.434 ' HA ' ' OE1' ' B' ' 7' ' ' GLU . 23.0 t -85.3 148.09 26.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 2.28 110.422 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.75 -11.04 59.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.09 -0.504 . . . . 5.06 110.401 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' A' ' 65' ' ' LEU . 91.6 m-85 -76.07 92.93 3.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 3.08 110.171 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -83.03 54.45 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.651 -0.704 . . . . 6.57 110.748 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.14 83.48 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.868 -0.682 . . . . 3.92 112.581 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 63.39 -171.08 0.18 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 122.815 0.446 . . . . 4.2 111.262 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -74.98 -39.13 61.43 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.741 -0.384 . . . . 7.73 110.749 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.436 HD12 ' CE1' ' A' ' 60' ' ' PHE . 85.9 mt -92.11 136.2 33.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.895 0.379 . . . . 7.31 110.655 -176.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.04 4.07 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 3.62 111.671 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -19.47 53.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.441 -0.345 . . . . 5.67 110.654 177.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.56 83.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.487 0.661 . . . . 3.78 110.407 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.12 -6.62 58.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.673 -0.694 . . . . 3.95 110.769 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -85.9 18.86 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 2.68 110.797 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 12.5 p -97.68 179.1 4.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.806 -0.634 . . . . 3.44 110.268 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.549 -0.738 . . . . 4.3 110.017 177.026 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.271 0.558 . . . . 7.72 110.631 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 22.3 m -131.82 178.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.768 -0.651 . . . . 5.59 109.806 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.62 36.28 1.64 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.132 -1.062 . . . . 5.73 108.132 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -78.29 -171.78 2.55 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.114 -1.403 . . . . 3.08 111.431 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.74 174.59 10.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.548 -0.538 . . . . 2.01 109.548 176.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.5 m -99.29 136.77 38.75 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.668 -0.493 . . . . 2.01 109.668 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -65.4 -29.2 69.88 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.844 -0.616 . . . . 1.68 112.076 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.58 -44.13 83.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 2.11 110.282 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -62.65 -41.99 99.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 1.68 110.65 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.86 -40.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.885 -0.598 . . . . 1.68 110.417 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.81 77.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.525 -0.307 . . . . 1.02 111.091 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.21 94.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 1.19 110.528 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.91 -45.34 94.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.822 -0.626 . . . . 2.28 109.456 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.35 -46.96 95.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.474 -0.784 . . . . 1.12 112.149 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.41 -36.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.501 -0.48 . . . . 1.02 110.981 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.39 -37.04 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.307 0.575 . . . . 0.67 109.779 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.545 ' O ' HG12 ' A' ' 19' ' ' ILE . 66.3 t80 -59.94 -53.05 62.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.351 -0.841 . . . . 2.29 110.543 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -64.8 -32.34 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.547 -0.297 . . . . 1.79 110.982 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.4 m -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.714 -0.476 . . . . 1.48 109.714 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.2 t -56.29 -33.51 65.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.259 0.552 . . . . 1.3 110.86 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.7 mm -71.92 -52.02 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.137 -0.483 . . . . 1.1 111.128 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.87 -42.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.27 0.47 . . . . 1.09 112.27 -174.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 2.49 111.393 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.34 57.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 1.94 111.194 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.54 49.59 16.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.117 -0.947 . . . . 2.4 111.515 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.07 -7.53 58.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.659 -0.701 . . . . 1.83 109.88 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -130.55 154.18 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.578 -0.737 . . . . 1.05 109.758 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -60.24 159.03 10.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.296 0.373 . . . . 1.73 111.57 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.58 -54.81 23.63 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.085 0.772 . . . . 1.87 113.085 -171.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.66 -37.67 88.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.162 0.506 . . . . 1.85 110.441 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.92 -44.6 97.18 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.786 -0.721 . . . . 0.36 111.525 176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.53 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.547 0.213 . . . . 1.08 111.204 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.67 -41.08 97.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 1.46 110.354 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 m -64.18 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.809 -0.632 . . . . 1.52 110.97 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -76.65 -35.22 58.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.687 0.28 . . . . 1.07 110.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -60.21 -46.31 90.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.23 110.857 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 m -73.69 -27.53 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 1.08 110.578 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.41 -49.56 73.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.352 -0.385 . . . . 0.98 110.232 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.4 mtm -59.21 -34.78 72.58 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.118 -0.492 . . . . 1.05 110.921 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.03 -43.9 94.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.68 110.441 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.51 -38.56 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.872 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 36' ' ' ALA . 77.6 mt -66.05 -40.87 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.456 0.646 . . . . 1.04 109.743 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.34 -45.82 92.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.961 -1.018 . . . . 1.73 110.182 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.77 -34.07 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 2.23 111.314 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.41 71.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.258 -0.428 . . . . 0.91 111.877 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 99.1 m-85 -99.35 -4.67 31.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.055 0.455 . . . . 2.01 112.122 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.15 52.07 44.46 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.768 -0.651 . . . . 0.43 113.26 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 13.8 p90 -136.4 172.91 12.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.857 0.328 . . . . 2.2 110.323 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 28.4 mm-40 -107.13 150.45 26.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.02 -0.363 . . . . 1.92 110.02 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.522 ' NH1' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -80.22 -14.25 58.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 3.21 110.175 -173.144 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -80.22 -22.12 42.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 2.23 110.887 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -85.21 2.41 43.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 1.25 111.782 -177.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.662 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.6 m -53.73 -46.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.403 0.52 . . . . 1.08 112.403 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.74 -49.16 78.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 1.62 111.022 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.43 -38.15 78.21 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.634 -0.712 . . . . 0.63 113.24 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 50' ' ' ALA . 63.1 mt -76.57 -43.31 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 1.24 110.769 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 59.2 mt -60.56 -37.55 81.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.17 -0.468 . . . . 1.19 111.076 178.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.51 -13.32 58.35 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.896 -0.668 . . . . 0.91 112.872 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 54' ' ' ILE . 6.0 tppp? -90.33 -29.9 17.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.763 0.316 . . . . 2.69 110.564 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 t -123.23 112.14 17.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.829 0.347 . . . . 2.28 111.391 -173.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -80.87 -11.23 59.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 5.07 110.313 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 67.84 -73.16 0.09 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.752 0.821 . . . . 3.08 110.954 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -163.81 34.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.584 0.707 . . . . 6.58 109.677 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.41 54.8 0.77 Allowed Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.559 -0.746 . . . . 3.93 111.988 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -58.42 126.3 26.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.562 0.696 . . . . 4.2 111.226 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -132.32 115.62 15.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.543 -0.753 . . . . 7.72 109.325 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD11 ' N ' ' A' ' 65' ' ' LEU . 4.7 mp -88.66 121.9 31.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.053 -0.521 . . . . 7.3 109.923 -176.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 178.2 -61.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.424 -0.807 . . . . 3.61 109.213 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.3 -26.36 38.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.418 -0.81 . . . . 5.67 109.847 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.441 HG23 ' H ' ' A' ' 70' ' ' ASN . 11.1 mt -83.32 130.75 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.571 -0.74 . . . . 3.77 109.492 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.4 mt -73.23 -1.61 18.45 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.084 0.469 . . . . 3.95 111.213 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.441 ' H ' HG23 ' A' ' 68' ' ' ILE . 10.4 t30 -71.74 0.42 8.92 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.919 -0.582 . . . . 2.67 110.652 176.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.424 ' HA ' HD21 ' A' ' 65' ' ' LEU . 2.9 p -56.24 -28.07 57.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 3.43 111.873 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.166 -0.921 . . . . 4.3 111.128 177.235 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 121.212 0.529 . . . . 7.73 110.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 21.5 m -131.6 178.46 5.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.859 -0.61 . . . . 5.59 109.834 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.96 36.4 1.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.381 1.086 . . . . 5.72 108.196 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p -77.87 -171.39 2.25 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 113.996 -1.457 . . . . 3.08 111.423 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.22 174.77 10.47 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.563 -0.532 . . . . 2.01 109.563 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 28.5 m -99.49 136.61 39.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.73 -0.47 . . . . 2.01 109.73 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -65.01 -29.4 70.32 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.775 -0.648 . . . . 1.69 112.128 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.71 -44.1 82.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.14 0.495 . . . . 2.11 110.27 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.563 -0.744 . . . . 1.68 110.701 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.98 -40.1 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 1.67 110.434 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.15 -40.96 78.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.586 -0.279 . . . . 1.02 111.014 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.174 -0.466 . . . . 1.18 110.542 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.78 -45.41 93.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.84 -0.618 . . . . 2.28 109.589 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.26 -47.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.391 -0.822 . . . . 1.12 112.132 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.39 -36.11 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.529 -0.468 . . . . 1.02 110.923 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -63.4 -36.94 85.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.344 0.593 . . . . 0.68 109.873 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.541 ' O ' HG12 ' B' ' 19' ' ' ILE . 67.0 t80 -59.91 -53.26 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.231 -0.895 . . . . 2.29 110.549 176.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -64.61 -32.47 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.57 -0.286 . . . . 1.79 110.96 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.9 m -60.22 -50.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.715 -0.476 . . . . 1.48 109.715 175.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.7 t -56.7 -33.39 66.41 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.169 0.509 . . . . 1.29 110.724 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.541 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.8 mm -71.99 -51.77 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.151 -0.477 . . . . 1.09 111.153 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.27 -41.95 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.233 0.457 . . . . 1.09 112.233 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.23 -37.94 87.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 2.49 111.425 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.27 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.432 . . . . 1.94 111.21 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.5 50.17 15.18 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.123 -0.944 . . . . 2.4 111.533 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.4 ' HB2' HG23 ' B' ' 19' ' ' ILE . 5.7 mm-40 -80.44 -7.7 59.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.741 -0.663 . . . . 1.84 109.796 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -130.32 154.21 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.755 . . . . 1.05 109.724 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -60.47 159.11 10.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.452 -0.34 . . . . 1.73 111.709 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.24 -54.68 23.45 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.15 0.796 . . . . 1.87 113.15 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.04 -37.73 88.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.089 0.471 . . . . 1.84 110.472 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.42 97.46 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.775 -0.726 . . . . 0.36 111.582 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.83 -45.39 86.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.564 0.221 . . . . 1.08 111.283 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.71 -41.1 97.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 1.47 110.341 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 46.3 m -64.13 -31.49 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.69 -0.686 . . . . 1.52 110.86 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.58 -35.24 58.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.323 . . . . 1.07 110.681 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -60.33 -46.33 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.23 110.791 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 20.8 m -73.66 -27.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 1.08 110.563 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.423 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.64 -49.48 73.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.381 -0.372 . . . . 0.98 110.131 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -59.14 -34.98 72.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.156 -0.474 . . . . 1.05 110.926 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.98 -43.96 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 1.68 110.397 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.0 m -67.59 -38.37 83.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 1.01 111.004 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 36' ' ' ALA . 77.6 mt -66.1 -40.87 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 1.04 109.815 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.1 -46.07 90.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 1.73 110.151 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.67 -34.05 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 2.23 111.256 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.3 71.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.91 111.919 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.411 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 99.1 m-85 -99.56 -4.6 30.79 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.026 0.38 . . . . 2.0 112.026 -174.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.02 52.15 44.34 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.43 113.231 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 14.0 p90 -136.36 173.11 12.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.832 0.316 . . . . 2.2 110.274 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.521 ' HA ' ' NH1' ' B' ' 48' ' ' ARG . 28.3 mm-40 -107.22 150.45 26.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.031 -0.359 . . . . 1.92 110.031 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.521 ' NH1' ' HA ' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -80.2 -14.3 58.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 3.21 110.118 -173.088 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -80.2 -22.07 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.347 -0.388 . . . . 2.24 111.071 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.411 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -85.29 2.25 44.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 1.25 111.613 -176.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.659 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 15.6 m -53.67 -46.23 61.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 112.407 0.521 . . . . 1.08 112.407 -177.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.68 -49.45 77.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.847 0.356 . . . . 1.61 110.899 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -38.38 75.67 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.802 -0.636 . . . . 0.63 113.276 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 50' ' ' ALA . 63.2 mt -76.39 -43.17 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 1.24 110.817 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 60.2 mt -60.65 -37.6 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.171 -0.468 . . . . 1.19 111.117 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.67 -12.96 58.06 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.92 -0.657 . . . . 0.91 112.895 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -90.86 -29.25 17.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.811 0.339 . . . . 2.68 110.664 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 10.3 t -123.64 112.3 17.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.987 0.422 . . . . 2.28 111.435 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -81.0 -11.32 59.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 5.06 110.254 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 67.87 -73.18 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.763 0.825 . . . . 3.08 110.937 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -163.75 34.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.48 0.657 . . . . 6.57 109.596 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.23 54.84 0.78 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.61 -0.723 . . . . 3.92 112.06 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -58.39 126.18 26.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.552 0.692 . . . . 4.2 111.193 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -132.0 115.68 16.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.448 -0.797 . . . . 7.73 109.319 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.433 HD11 ' N ' ' B' ' 65' ' ' LEU . 4.7 mp -88.79 121.88 31.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.206 -0.452 . . . . 7.31 109.924 -176.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 178.75 -62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.262 -0.881 . . . . 3.62 109.013 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.55 -26.35 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.387 -0.824 . . . . 5.67 109.849 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.447 HG23 ' H ' ' B' ' 70' ' ' ASN . 11.2 mt -83.14 131.01 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.701 -0.681 . . . . 3.78 109.395 176.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -73.42 -1.57 18.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.32 0.581 . . . . 3.95 111.249 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.447 ' H ' HG23 ' B' ' 68' ' ' ILE . 10.7 t30 -71.76 0.34 9.16 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.762 -0.654 . . . . 2.68 110.656 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.427 ' HA ' HD21 ' B' ' 65' ' ' LEU . 2.9 p -56.21 -28.4 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.05 -0.523 . . . . 3.44 111.679 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.188 -0.91 . . . . 4.3 111.291 177.372 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 110.397 -0.223 . . . . 7.72 110.397 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 14.3 p -165.6 159.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.997 -0.371 . . . . 5.59 109.997 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -151.25 60.89 0.9 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.05 -1.093 . . . . 5.73 108.05 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -102.32 173.51 6.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.373 -0.831 . . . . 3.08 110.403 -173.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.3 157.14 34.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.952 -0.567 . . . . 2.01 109.879 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 p -110.83 157.35 19.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.517 -0.31 . . . . 2.01 110.7 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 15.0 pttm -50.69 -38.72 48.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.113 0.412 . . . . 1.68 112.113 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.53 -54.43 47.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.203 0.525 . . . . 2.11 110.96 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.4 -43.68 98.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 1.68 111.003 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.47 HG13 ' CZ ' ' B' ' 15' ' ' TYR . 47.9 mm -66.68 -49.59 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.846 -0.615 . . . . 1.68 110.674 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.38 69.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.602 -0.272 . . . . 1.02 111.305 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.14 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 1.19 110.862 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 2.28 109.7 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 8' ' ' ILE . 66.3 mt -59.07 -57.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 1.12 112.003 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.12 -33.05 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 1.02 110.805 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.95 -42.42 98.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.67 110.399 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.501 ' CZ ' HG13 ' B' ' 8' ' ' ILE . 47.5 t80 -66.89 -44.77 79.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.571 . . . . 2.29 111.052 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.68 -34.34 78.07 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.853 -0.339 . . . . 1.79 110.55 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.8 m -62.46 -33.9 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 1.48 110.355 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 m -71.99 -40.59 68.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.408 -0.36 . . . . 1.3 110.405 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.24 -50.35 80.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 1.1 111.315 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.78 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.544 -0.298 . . . . 1.09 110.996 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.35 -42.76 98.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 2.49 111.297 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -86.07 -1.18 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 1.94 110.936 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.75 40.74 12.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.52 -0.764 . . . . 2.4 110.661 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 19.5 mm-40 -72.7 -14.37 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.158 -0.928 . . . . 1.83 111.192 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.4 tt -133.0 145.66 33.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.193 -0.458 . . . . 1.05 109.822 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 163.78 8.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 1.73 111.732 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -52.66 -48.57 66.37 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.475 0.546 . . . . 1.87 112.475 -171.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.25 -45.45 93.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.079 0.466 . . . . 1.85 110.148 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.03 97.76 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.36 111.961 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.537 0.208 . . . . 1.08 111.39 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.89 -38.14 87.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.391 . . . . 1.46 110.485 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.58 -36.56 84.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.901 -0.591 . . . . 1.52 110.276 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.95 -34.98 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 1.07 110.431 175.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.23 110.729 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 m -71.21 -30.42 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.495 -0.32 . . . . 1.08 110.547 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.508 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.77 -51.9 65.32 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.516 -0.311 . . . . 0.98 110.52 176.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.5 mtm -58.87 -36.12 74.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.427 -0.351 . . . . 1.05 111.051 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.03 -49.03 79.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 1.68 110.364 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.143 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 36' ' ' ALA . 84.6 mt -63.76 -47.59 90.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 1.04 110.306 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.504 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 15.8 m -63.72 -39.3 93.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.718 -0.674 . . . . 1.73 110.257 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.95 -49.18 78.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 2.23 110.825 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.01 59.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.538 -0.755 . . . . 0.91 112.233 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 90.3 m-85 -89.79 -4.15 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.958 0.409 . . . . 2.01 111.583 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.61 48.95 53.59 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.817 -0.629 . . . . 0.43 113.484 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.2 p90 -135.03 171.49 14.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.972 0.415 . . . . 2.2 110.885 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -101.97 153.04 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 1.92 109.715 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -79.26 -16.09 56.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.198 0.523 . . . . 3.21 110.189 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.18 -15.04 48.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.677 -0.692 . . . . 2.23 110.327 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.99 -0.34 56.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.868 -0.605 . . . . 1.25 111.394 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.532 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 m -50.27 -42.12 20.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.195 -0.457 . . . . 1.08 112.137 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -61.22 -48.95 79.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.927 0.394 . . . . 1.62 110.875 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.66 -42.01 83.73 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.481 -0.782 . . . . 0.63 112.939 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.1 mt -74.1 -46.34 45.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.776 0.288 . . . . 1.24 110.81 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 75.3 mt -57.83 -42.23 83.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.21 -0.45 . . . . 1.19 111.362 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.83 -30.6 63.21 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.828 -0.701 . . . . 0.91 113.073 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -77.85 -29.91 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 2.69 110.792 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.2 p -75.64 163.24 27.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.978 0.418 . . . . 2.28 110.614 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -79.63 1.1 27.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 5.07 110.742 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -79.66 75.52 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.24 0.543 . . . . 3.08 110.584 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -110.88 -41.33 4.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.417 -0.81 . . . . 6.58 109.739 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.48 -11.52 58.14 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.502 -0.639 . . . . 3.93 111.502 175.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 65.52 -149.8 0.24 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.886 0.475 . . . . 4.2 110.945 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -76.32 -63.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.948 -0.76 . . . . 7.72 108.948 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.3 mt -151.89 147.81 27.04 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.093 -0.706 . . . . 7.3 109.093 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 66.06 -172.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.778 0.674 . . . . 3.61 111.809 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.3 -27.91 38.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.359 -0.382 . . . . 5.67 110.862 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.9 mt 62.91 131.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.136 -0.938 . . . . 3.77 111.745 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.32 -34.46 73.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 114.973 -1.012 . . . . 3.95 112.78 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -87.1 -40.67 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 2.67 111.872 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m -71.62 149.4 45.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.182 -0.463 . . . . 3.43 111.165 -173.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.285 -0.864 . . . . 4.3 110.333 -177.766 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.214 -0.291 . . . . 7.73 110.214 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 14.5 p -165.79 159.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 110.048 -0.353 . . . . 5.59 110.048 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -150.93 60.75 0.92 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.095 -1.076 . . . . 5.72 108.095 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -101.88 173.66 6.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.421 -0.809 . . . . 3.08 110.429 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.28 157.33 34.18 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.836 -0.62 . . . . 2.01 109.797 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 32.5 p -111.3 157.59 19.99 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.312 -0.404 . . . . 2.01 110.59 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' B' ' 44' ' ' PHE . 15.1 pttm -50.98 -38.74 52.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.143 0.424 . . . . 1.69 112.143 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -58.6 -54.41 47.41 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.158 0.504 . . . . 2.11 110.99 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.17 -43.79 98.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.321 -0.854 . . . . 1.68 111.005 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.501 HG13 ' CZ ' ' A' ' 15' ' ' TYR . 47.9 mm -66.68 -49.47 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 1.67 110.772 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.35 -37.26 69.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.518 -0.31 . . . . 1.02 111.352 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.12 71.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 1.18 110.748 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.25 -38.57 91.68 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.68 -0.489 . . . . 2.28 109.68 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 8' ' ' ILE . 66.4 mt -59.08 -57.22 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.797 -0.638 . . . . 1.12 112.022 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.04 -33.16 61.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.772 -0.371 . . . . 1.02 110.742 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.68 110.385 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.47 ' CZ ' HG13 ' A' ' 8' ' ' ILE . 47.4 t80 -66.89 -44.94 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 2.29 110.967 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.56 -34.25 77.8 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.834 -0.346 . . . . 1.79 110.64 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 m -62.81 -33.39 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 1.48 110.452 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.0 m -72.1 -40.89 67.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 1.29 110.446 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.14 -50.26 80.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 1.09 111.367 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.76 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.558 -0.292 . . . . 1.09 111.09 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.42 -42.68 98.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 2.49 111.199 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -85.82 -1.95 57.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 1.94 110.914 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 62.14 40.82 11.44 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.57 -0.741 . . . . 2.4 110.688 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -72.85 -14.36 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.186 -0.916 . . . . 1.84 111.186 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.14 145.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.129 -0.487 . . . . 1.05 109.851 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -62.35 164.11 7.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.73 111.812 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -52.83 -48.71 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.459 0.54 . . . . 1.87 112.459 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.97 -45.4 93.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.129 0.49 . . . . 1.84 110.168 -176.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.97 97.41 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.579 -0.737 . . . . 0.36 111.942 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.44 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.571 0.224 . . . . 1.08 111.348 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.03 -38.29 88.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.926 0.393 . . . . 1.47 110.563 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.23 -36.88 85.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.85 -0.613 . . . . 1.52 110.193 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.72 -35.05 72.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 1.07 110.477 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.77 -49.55 77.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.23 110.773 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.27 -30.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 1.08 110.639 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.505 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.97 -52.11 64.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.491 -0.322 . . . . 0.98 110.432 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.4 mtm -58.62 -36.25 73.76 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.443 -0.344 . . . . 1.05 111.021 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.15 -48.86 79.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 1.68 110.309 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.61 -37.39 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 1.01 111.102 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 36' ' ' ALA . 84.5 mt -63.86 -47.54 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 1.04 110.264 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.51 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.7 m -63.78 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 1.73 110.256 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.11 -48.94 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.698 -0.683 . . . . 2.23 110.865 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.93 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.579 -0.737 . . . . 0.91 112.219 -175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 90.5 m-85 -89.72 -4.42 57.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 2.0 111.538 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.77 48.93 52.68 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.43 113.427 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.51 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 19.0 p90 -134.87 171.91 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.203 0.501 . . . . 2.2 110.728 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.13 153.07 20.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 1.92 109.724 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -79.3 -16.16 56.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.145 0.498 . . . . 3.21 110.172 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -84.17 -15.16 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.686 -0.688 . . . . 2.24 110.223 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.98 -0.39 56.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 1.25 111.429 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 26.1 m -50.16 -42.27 19.68 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 116.163 -0.471 . . . . 1.08 112.092 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.5 p -61.14 -48.9 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.01 0.434 . . . . 1.61 110.856 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.83 84.8 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.63 112.977 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 32.3 mt -74.1 -46.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 1.24 110.838 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 75.4 mt -57.89 -42.09 83.95 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.142 -0.481 . . . . 1.19 111.343 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.99 -30.24 63.25 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.897 -0.668 . . . . 0.91 113.161 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -78.22 -29.6 48.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.815 0.34 . . . . 2.68 110.831 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 87.0 p -75.9 162.99 27.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 2.28 110.691 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.3 0.93 26.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.902 -0.59 . . . . 5.06 110.822 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -79.48 75.68 6.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.221 0.534 . . . . 3.08 110.463 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -111.27 -40.67 4.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.519 -0.764 . . . . 6.57 109.769 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.17 -11.3 57.61 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.789 -0.641 . . . . 3.92 111.599 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 65.34 -149.85 0.25 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 122.959 0.504 . . . . 4.2 110.825 174.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -76.68 -63.11 1.42 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.962 -0.755 . . . . 7.73 108.962 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 80.5 mt -152.13 147.8 26.88 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.227 -0.657 . . . . 7.31 109.227 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 66.06 -172.47 0.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.677 0.611 . . . . 3.62 111.756 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -80.1 -27.95 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.237 -0.438 . . . . 5.67 110.942 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 42.9 mt 62.88 130.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.89 0.852 . . . . 3.78 111.807 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 99.4 mt -60.61 -33.37 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.984 -1.007 . . . . 3.95 112.851 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -87.99 -40.68 13.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 2.68 111.93 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 20.7 m -71.57 149.35 45.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.225 -0.443 . . . . 3.44 111.202 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.393 -0.813 . . . . 4.3 110.484 -177.618 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 121.152 0.501 . . . . 7.72 109.935 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' VAL . . . . . 0.511 HG11 ' OG ' ' A' ' 4' ' ' SER . 3.0 p -179.68 171.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 107.926 -1.138 . . . . 5.59 107.926 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -111.78 -17.95 12.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.423 0.63 . . . . 5.73 110.891 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.605 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 28.6 t -93.18 29.88 1.79 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.494 -0.776 . . . . 3.08 110.335 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 75.41 127.07 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.283 -0.872 . . . . 2.01 110.284 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.511 ' OG ' HG11 ' A' ' 0' ' ' VAL . 15.7 m -92.5 148.5 22.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.141 -0.481 . . . . 2.01 110.22 -172.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -56.16 -32.2 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.812 -0.631 . . . . 1.68 111.195 176.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -63.97 -47.28 81.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.029 0.442 . . . . 2.11 110.303 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.38 -43.9 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.394 -0.821 . . . . 1.68 110.39 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 12' ' ' ILE . 44.5 mm -63.73 -51.81 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.595 -0.729 . . . . 1.68 110.152 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.54 72.82 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.302 -0.408 . . . . 1.02 111.565 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.21 78.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 1.19 110.618 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -38.07 89.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.539 -0.541 . . . . 2.28 109.539 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 HG12 HG12 ' B' ' 12' ' ' ILE . 66.4 mt -58.76 -57.31 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 1.12 112.067 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.54 -37.76 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 1.02 110.854 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.468 ' ND2' HD21 ' A' ' 70' ' ' ASN . 57.3 t30 -63.17 -34.63 78.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.67 110.722 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.407 ' O ' HG12 ' A' ' 19' ' ' ILE . 69.6 t80 -68.53 -46.05 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 2.29 110.749 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -65.08 -34.09 77.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 1.79 110.667 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -61.95 -33.15 73.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 1.48 109.958 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.503 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.3 t -73.73 -43.36 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 1.3 110.122 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 15' ' ' TYR . 47.3 mm -60.07 -44.74 95.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.255 -0.43 . . . . 1.1 111.37 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.11 -33.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.598 0.237 . . . . 1.09 111.001 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.46 -45.95 85.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.923 0.392 . . . . 2.49 110.85 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.3 mttm -78.03 -6.78 55.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 1.94 110.817 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 56.99 39.01 29.67 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.072 -0.967 . . . . 2.4 111.486 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -77.55 -5.66 50.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.83 111.082 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.87 146.28 31.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.858 -0.423 . . . . 1.05 109.858 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -54.63 150.12 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 1.73 111.498 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -51.37 -49.48 61.41 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.51 0.559 . . . . 1.87 112.51 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.72 -41.96 99.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 1.85 110.357 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.81 99.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.36 111.839 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.05 82.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 1.08 111.02 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.09 -38.68 89.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 1.46 110.512 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -64.05 -32.35 73.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 1.52 110.332 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.1 mt -73.16 -35.91 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 1.07 110.521 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -58.32 -50.14 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.23 110.712 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.02 -29.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 1.08 110.584 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.83 -50.44 68.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.444 -0.344 . . . . 0.98 110.531 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.46 -40.68 75.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.149 -0.478 . . . . 1.05 111.472 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.61 -40.33 96.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 1.68 110.856 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.17 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.379 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.1 mt -70.89 -48.19 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 1.04 111.09 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.594 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 12.1 p -61.71 -43.52 98.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.348 . . . . 1.73 111.049 -177.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 2.23 110.768 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.67 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.91 111.603 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -90.55 -2.95 57.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 2.01 111.195 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.31 57.22 7.71 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.686 -0.688 . . . . 0.43 113.005 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 25.3 p90 -144.04 167.19 22.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.84 0.352 . . . . 2.2 110.365 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -99.75 153.05 19.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.14 -0.482 . . . . 1.92 109.738 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -80.13 -18.87 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.981 0.42 . . . . 3.21 110.12 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -85.92 -13.35 48.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.024 -0.535 . . . . 2.23 110.878 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.69 2.42 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 1.25 110.942 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.555 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.1 m -49.84 -46.5 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.71 -0.677 . . . . 1.08 112.81 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.6 t -59.98 -45.6 92.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 1.62 110.831 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.77 83.89 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.962 -0.563 . . . . 0.63 112.828 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.72 -42.36 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.947 0.403 . . . . 1.24 110.299 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 87.2 mt -56.41 -31.77 64.21 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.869 -0.605 . . . . 1.19 111.647 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.43 -19.24 5.89 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 121.184 -0.531 . . . . 0.91 114.274 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -75.31 -27.46 59.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.393 0.596 . . . . 2.69 111.201 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.8 p -150.76 110.83 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.164 0.507 . . . . 2.28 111.017 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.01 -12.51 59.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 5.07 110.267 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 24.4 m-85 70.22 -73.81 0.09 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.44 -0.8 . . . . 3.08 110.256 -178.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 88.0 tttt 159.56 -46.38 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.308 1.043 . . . . 6.58 109.667 174.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.2 -5.94 6.01 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.252 -0.885 . . . . 3.93 111.144 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 65.06 -168.23 0.21 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.768 0.427 . . . . 4.2 110.864 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -71.61 -68.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.235 -0.654 . . . . 7.72 109.235 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 mp -135.12 121.42 20.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.906 -0.588 . . . . 7.3 109.617 174.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.6 ' HA ' ' O ' ' B' ' 2' ' ' SER . . . -167.59 146.08 4.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.728 -0.669 . . . . 3.61 109.252 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.0 -63.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.554 -0.458 . . . . 5.67 110.771 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 13.9 mt 43.89 39.84 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.75 0.786 . . . . 3.77 111.27 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.27 -8.99 58.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.426 0.631 . . . . 3.95 110.159 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.468 HD21 ' ND2' ' A' ' 14' ' ' ASN . 5.0 p-10 -88.24 -6.14 57.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.966 -1.016 . . . . 2.67 111.058 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.8 t -114.66 171.44 7.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.729 0.299 . . . . 3.43 110.44 -176.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.395 -0.812 . . . . 4.3 110.033 178.839 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 121.25 0.548 . . . . 7.73 109.846 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' VAL . . . . . 0.517 HG11 ' OG ' ' B' ' 4' ' ' SER . 2.9 p -179.39 171.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 107.999 -1.112 . . . . 5.59 107.999 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -112.06 -18.69 12.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.393 0.616 . . . . 5.72 110.918 -172.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' A' ' 66' ' ' ALA . 28.4 t -92.55 29.91 1.63 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.43 -0.805 . . . . 3.08 110.449 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 75.61 127.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.274 -0.876 . . . . 2.01 110.242 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.517 ' OG ' HG11 ' B' ' 0' ' ' VAL . 16.1 m -92.63 148.56 21.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.141 -0.482 . . . . 2.01 110.328 -172.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -56.06 -32.38 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.69 -0.686 . . . . 1.69 111.153 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -64.04 -47.17 81.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.046 0.45 . . . . 2.11 110.338 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -60.44 -44.01 96.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.345 -0.843 . . . . 1.68 110.373 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.457 ' O ' HG13 ' B' ' 12' ' ' ILE . 44.1 mm -63.6 -51.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 1.67 110.206 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.54 72.55 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.336 -0.393 . . . . 1.02 111.603 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.13 78.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 1.18 110.601 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.06 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.432 -0.581 . . . . 2.28 109.432 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.469 HG12 HG12 ' A' ' 12' ' ' ILE . 67.0 mt -58.6 -57.38 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.529 -0.759 . . . . 1.12 112.136 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.67 -37.55 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.44 . . . . 1.02 110.824 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.462 ' ND2' HD21 ' B' ' 70' ' ' ASN . 57.3 t30 -63.31 -34.6 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 0.68 110.742 177.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.403 ' O ' HG12 ' B' ' 19' ' ' ILE . 69.6 t80 -68.45 -46.11 70.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 2.29 110.718 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.09 -34.08 77.56 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.954 -0.298 . . . . 1.79 110.637 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 29.8 t -61.85 -33.25 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 1.48 109.859 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.503 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 23.0 t -73.86 -43.3 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.899 -0.591 . . . . 1.29 110.184 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.403 HG12 ' O ' ' B' ' 15' ' ' TYR . 47.6 mm -59.91 -44.93 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 1.09 111.417 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.03 -33.64 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.124 -0.23 . . . . 1.09 111.117 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.38 -46.29 83.97 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 2.49 110.831 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.503 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.1 mttm -77.81 -6.61 54.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.965 0.412 . . . . 1.94 110.752 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.88 39.12 29.7 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.134 -0.939 . . . . 2.4 111.347 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.52 -5.6 50.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 1.84 111.135 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.73 146.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.44 . . . . 1.05 109.945 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.63 149.96 10.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 1.73 111.44 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -51.24 -49.86 60.3 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.537 0.569 . . . . 1.87 112.537 -171.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.31 -42.19 99.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 1.84 110.413 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.84 99.75 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.36 111.803 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.12 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 1.08 111.102 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.06 -38.65 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 1.47 110.495 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -63.96 -32.45 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.87 -0.605 . . . . 1.52 110.375 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.13 -35.83 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.608 0.242 . . . . 1.07 110.478 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -58.37 -50.15 74.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.23 110.779 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.97 -29.94 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 1.08 110.675 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.477 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.65 -50.38 69.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.98 110.569 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.54 -40.8 75.72 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.149 -0.478 . . . . 1.05 111.467 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.61 -40.29 96.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 1.68 110.762 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -35.38 80.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.03 -0.532 . . . . 1.01 110.42 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 36' ' ' ALA . 82.3 mt -70.96 -47.98 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 1.04 111.068 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.601 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 11.0 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.496 -0.32 . . . . 1.73 111.131 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.9 -31.57 70.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 2.23 110.748 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.54 -51.75 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.688 0.28 . . . . 0.91 111.664 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -90.63 -2.65 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 2.0 111.288 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.03 57.37 7.78 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.536 -0.756 . . . . 0.43 113.029 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.601 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 25.2 p90 -144.43 166.48 25.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.89 0.345 . . . . 2.2 110.374 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -99.16 153.1 19.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 1.92 109.81 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -80.19 -18.65 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.005 0.431 . . . . 3.21 110.14 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -86.5 -12.61 48.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 2.24 110.874 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.1 2.38 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 1.25 111.042 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.0 m -49.85 -46.19 22.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 112.879 0.696 . . . . 1.08 112.879 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.4 t -60.4 -45.53 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 1.61 110.69 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.96 83.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.63 112.765 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 25.1 mt -74.56 -42.34 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.983 0.42 . . . . 1.24 110.291 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.8 mt -56.56 -31.79 64.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.874 -0.603 . . . . 1.19 111.716 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.98 -19.89 5.81 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 121.222 -0.513 . . . . 0.91 114.226 174.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -74.94 -27.71 60.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 117.472 0.636 . . . . 2.68 111.173 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.6 p -150.45 111.07 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.276 0.56 . . . . 2.28 110.92 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -81.08 -12.44 59.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 5.06 110.259 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' B' ' 61' ' ' LYS . 24.4 m-85 70.22 -73.89 0.09 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.589 -0.732 . . . . 3.08 110.274 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 88.0 tttt 159.61 -46.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.247 1.019 . . . . 6.57 109.768 173.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.4 -5.95 5.94 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.219 -0.9 . . . . 3.92 111.141 -173.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 64.93 -168.5 0.21 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.852 0.461 . . . . 4.2 110.862 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -71.31 -69.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.253 -0.647 . . . . 7.73 109.253 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mp -134.84 121.8 21.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.87 -0.605 . . . . 7.31 109.591 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.605 ' HA ' ' O ' ' A' ' 2' ' ' SER . . . -168.02 145.88 4.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.672 -0.695 . . . . 3.62 109.333 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.73 -63.09 1.21 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.471 -0.491 . . . . 5.67 110.753 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 14.2 mt 43.84 39.83 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-O 121.703 0.763 . . . . 3.78 111.228 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.22 -8.85 58.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.549 0.69 . . . . 3.95 110.116 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.462 HD21 ' ND2' ' B' ' 14' ' ' ASN . 5.0 p-10 -88.32 -6.22 57.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.066 -0.97 . . . . 2.68 111.045 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -114.54 171.86 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.528 -0.306 . . . . 3.44 110.505 -176.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.597 -0.716 . . . . 4.3 109.902 178.788 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.609 ' HE3' ' O ' ' B' ' 24' ' ' GLU . 14.6 pttm . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 112.195 0.443 . . . . 1.14 112.195 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -61.13 -56.99 14.46 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.014 0.435 . . . . 2.11 110.978 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -57.73 -44.39 85.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.526 -0.761 . . . . 1.68 110.903 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' HG13 ' A' ' 12' ' ' ILE . 39.0 mm -64.03 -47.82 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 0.96 110.765 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.33 -41.63 72.69 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 111.763 0.283 . . . . 0.25 111.763 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.92 92.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.058 0.456 . . . . 0.33 110.769 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.52 -41.27 98.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.849 -0.614 . . . . 1.56 109.38 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.518 HD13 HG23 ' B' ' 12' ' ' ILE . 74.8 mt -59.8 -56.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.136 -0.938 . . . . 0.25 112.19 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.31 -37.39 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.725 -0.39 . . . . 0.18 111.173 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.81 -33.25 74.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.894 0.378 . . . . 0.57 110.451 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.447 ' O ' HG12 ' A' ' 19' ' ' ILE . 79.4 t80 -65.25 -50.02 67.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 1.4 110.514 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' HB2' ' SD ' ' A' ' 37' ' ' MET . 28.8 m-85 -65.2 -33.78 76.81 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.992 -0.283 . . . . 1.05 110.729 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -62.94 -31.89 73.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.9 110.033 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.482 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 16.9 t -76.56 -38.59 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 0.84 110.21 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 15' ' ' TYR . 46.2 mm -62.08 -43.96 98.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.256 -0.429 . . . . 0.28 111.01 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -75.89 -28.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.678 0.275 . . . . 0.34 110.495 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.68 -54.57 45.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.416 0.627 . . . . 2.49 110.339 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.482 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 48.3 mttm -82.1 -3.51 54.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.277 -0.874 . . . . 1.42 110.782 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 56.94 41.67 27.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.964 -1.016 . . . . 1.79 111.458 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.613 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 30.9 mt-10 -75.71 -3.99 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 1.83 111.003 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.8 150.91 35.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 0.36 110.049 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -56.57 150.63 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.45 110.464 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.42 -27.71 69.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.97 -0.559 . . . . 1.87 111.643 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.71 -46.08 69.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.202 0.525 . . . . 1.85 109.635 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.64 -37.59 93.73 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.499 -0.773 . . . . 0.31 111.562 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.8 79.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.544 0.212 . . . . 0.24 111.232 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.38 -45.75 90.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.46 110.472 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 m -61.63 -34.14 75.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.92 110.842 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.92 -40.47 72.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 0.21 110.829 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -59.83 -48.54 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.21 111.132 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.0 m -70.54 -29.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.857 -0.337 . . . . 0.25 110.513 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.19 -52.72 61.18 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.469 -0.332 . . . . 0.18 110.26 175.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.43 ' SD ' ' HB2' ' A' ' 16' ' ' PHE . 73.8 mtm -58.28 -36.83 73.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.21 110.801 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.21 -44.32 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.899 -0.592 . . . . 1.68 110.778 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.1 m -69.42 -34.59 74.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 0.26 110.934 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 36' ' ' ALA . 92.6 mt -64.59 -49.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.127 0.489 . . . . 0.16 109.993 176.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.596 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 17.8 m -64.04 -34.62 78.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.492 -0.776 . . . . 1.13 110.379 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.42 -42.71 99.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.705 . . . . 2.23 110.947 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.73 65.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 0.25 112.159 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.04 -7.74 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.156 0.503 . . . . 1.15 111.852 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.25 57.29 6.94 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.691 -0.686 . . . . 0.43 113.2 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 24.1 p90 -142.07 169.83 16.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.051 0.425 . . . . 1.27 110.532 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.5 152.77 19.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.045 -0.525 . . . . 1.92 109.631 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.06 -16.98 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 2.57 109.897 -172.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -93.44 -4.78 50.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 2.23 110.734 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.27 -0.96 57.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.053 -0.521 . . . . 0.48 110.617 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.82 -36.94 11.9 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 CA-C-N 115.345 -0.843 . . . . 0.41 112.542 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 p -55.47 -56.5 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 1.24 111.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.14 -41.76 61.27 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.698 -0.683 . . . . 0.59 113.45 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.4 mt -75.67 -43.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 0.57 111.297 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 116.425 -0.352 . . . . 0.65 111.042 179.569 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.613 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 14.6 pttm . . . . . 0 CA--C 1.527 0.074 0 N-CA-C 112.176 0.436 . . . . 1.14 112.176 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.33 -56.92 15.01 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.968 0.413 . . . . 2.11 110.994 173.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -57.9 -44.25 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.538 -0.755 . . . . 1.68 110.78 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 12' ' ' ILE . 38.9 mm -64.06 -47.85 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.601 -0.727 . . . . 0.96 110.767 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.41 -41.43 72.72 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 111.746 0.276 . . . . 0.24 111.746 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.79 93.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.136 0.493 . . . . 0.33 110.758 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.649 . . . . 1.56 109.376 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.518 HG23 HD13 ' A' ' 12' ' ' ILE . 74.5 mt -59.91 -56.21 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.156 -0.929 . . . . 0.24 112.14 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.22 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.831 -0.348 . . . . 0.18 111.137 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.91 -33.16 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.57 110.481 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.441 ' O ' HG12 ' B' ' 19' ' ' ILE . 79.3 t80 -65.36 -49.91 67.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 1.39 110.541 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.427 ' HB2' ' SD ' ' B' ' 37' ' ' MET . 28.9 m-85 -65.22 -33.81 76.88 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.957 -0.297 . . . . 1.04 110.731 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -62.92 -31.63 72.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 0.9 110.063 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.479 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 15.0 t -76.98 -38.48 53.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 0.84 110.112 177.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 15' ' ' TYR . 46.0 mm -61.99 -44.12 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.28 110.936 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.83 -28.57 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.511 -0.313 . . . . 0.34 110.487 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.67 -54.49 46.46 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.278 0.561 . . . . 2.49 110.356 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.479 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 48.6 mttm -82.39 -3.3 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.434 -0.803 . . . . 1.41 110.68 -176.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 57.05 41.71 27.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.96 -1.018 . . . . 1.79 111.409 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.609 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 30.7 mt-10 -75.81 -3.82 37.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 1.84 110.985 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.94 150.88 35.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.987 -0.375 . . . . 0.36 109.987 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -56.6 150.49 15.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.47 110.455 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.31 -27.8 69.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.96 -0.564 . . . . 1.87 111.644 -174.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.89 -45.79 70.03 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.682 -0.488 . . . . 1.84 109.682 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.46 93.56 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.3 111.615 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.59 -42.91 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.517 0.198 . . . . 0.24 111.123 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.31 -45.74 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 1.47 110.555 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -34.37 75.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 0.92 110.833 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.99 -40.41 71.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.737 0.303 . . . . 0.21 110.789 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -59.83 -48.61 80.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.21 111.087 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 m -70.45 -29.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 0.26 110.539 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.457 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.43 -52.62 60.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.463 -0.335 . . . . 0.18 110.169 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' B' ' 16' ' ' PHE . 73.9 mtm -58.37 -36.77 73.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.21 110.811 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.44 -43.99 97.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.953 -0.567 . . . . 1.68 110.772 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.0 m -69.65 -34.47 74.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.232 -0.44 . . . . 0.27 110.894 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 36' ' ' ALA . 93.3 mt -64.68 -49.08 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.165 0.507 . . . . 0.16 109.939 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.599 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -64.08 -34.75 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.559 -0.746 . . . . 1.13 110.444 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.42 -42.38 99.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.23 110.847 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -51.45 65.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.877 -0.601 . . . . 0.25 112.036 -176.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -91.26 -7.78 50.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 1.15 111.694 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.08 57.47 6.92 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.43 113.228 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 24.0 p90 -142.12 169.95 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.914 0.357 . . . . 1.27 110.448 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.44 152.91 19.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.955 -0.566 . . . . 1.92 109.557 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.04 -17.43 55.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.218 0.532 . . . . 2.57 109.978 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -93.22 -4.77 51.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.633 -0.712 . . . . 2.24 110.609 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 -0.85 57.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.036 0.446 . . . . 0.48 110.527 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.93 -36.93 12.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 115.409 -0.814 . . . . 0.41 112.628 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.298 . . . . 1.25 111.218 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.03 -41.79 60.25 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.692 -0.685 . . . . 0.59 113.288 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 53.5 mt -75.6 -43.31 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.003 0.43 . . . . 0.57 111.287 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 116.45 -0.341 . . . . 0.65 110.915 179.601 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.536 0.208 . . . . 1.14 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.42 -48.53 80.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.279 0.561 . . . . 2.11 110.02 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 1.68 110.569 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.37 -50.07 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.96 110.274 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.75 72.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.25 111.531 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.09 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.101 0.477 . . . . 0.33 110.542 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.66 -42.12 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.601 -0.727 . . . . 1.56 109.657 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.17 -55.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.019 -0.991 . . . . 0.25 112.303 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.78 -35.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.673 -0.411 . . . . 0.18 111.087 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -61.4 -31.51 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.57 110.456 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -68.55 -47.68 66.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 1.4 110.726 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -65.9 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.796 -0.362 . . . . 1.05 110.696 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -60.78 -34.62 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.128 0.49 . . . . 0.9 109.982 174.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.538 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.8 t -72.54 -45.75 57.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.84 110.34 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -59.16 -44.8 92.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.408 -0.36 . . . . 0.28 111.431 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.57 -33.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.583 -0.28 . . . . 0.34 110.98 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.79 -48.52 78.77 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.962 0.41 . . . . 2.49 110.409 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.9 mttm -76.13 -6.12 49.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 1.42 110.808 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.13 41.83 31.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.964 -1.017 . . . . 1.79 111.571 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.6 -4.87 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.701 -0.682 . . . . 1.83 111.258 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.138 -0.319 . . . . 0.36 110.138 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -58.28 155.68 11.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.644 -0.707 . . . . 1.45 111.725 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.3 -42.85 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.729 0.3 . . . . 1.87 111.704 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.21 -42.77 96.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 1.85 110.084 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -43.43 91.37 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.737 -0.744 . . . . 0.31 111.858 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.42 75.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.668 0.27 . . . . 0.24 111.592 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.11 -39.84 83.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 1.46 110.744 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 m -65.07 -30.69 71.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 0.92 111.07 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.11 -35.49 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 0.21 110.472 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -61.75 -52.07 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.21 110.796 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.2 -31.51 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.972 -0.291 . . . . 0.25 110.447 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.34 -52.14 64.83 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.317 -0.402 . . . . 0.18 110.275 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mtm -56.33 -43.64 79.22 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.388 -0.369 . . . . 0.21 111.898 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.763 -0.199 . . . . 1.68 111.525 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -67.13 -39.96 86.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.26 110.62 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 36' ' ' ALA . 74.2 mt -65.88 -44.8 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.395 0.617 . . . . 0.16 109.965 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 29.7 t -55.4 -53.15 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.979 -1.01 . . . . 1.13 110.802 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.11 -38.53 86.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 2.23 111.099 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.92 52.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.433 . . . . 0.25 111.927 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.425 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 96.6 m-85 -89.4 -8.52 52.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.131 0.419 . . . . 1.15 112.131 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.83 48.78 32.31 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.43 113.048 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 14.7 p90 -137.53 160.75 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.852 -0.425 . . . . 1.27 109.852 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.7 153.99 19.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.261 -0.274 . . . . 1.92 110.261 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.2 -24.23 40.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 2.57 110.032 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.42 -14.67 39.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 2.23 110.745 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.98 0.9 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.48 111.037 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 18.3 m -50.54 -43.88 24.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.41 112.497 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 p -59.75 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 1.24 110.964 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.59 94.22 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.88 -0.6 . . . . 0.59 112.52 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.2 mt -69.24 -49.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.843 0.354 . . . . 0.57 110.719 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 85.9 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.65 111.509 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 120.614 0.245 . . . . 1.14 111.346 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.21 -48.65 80.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.313 0.578 . . . . 2.11 109.962 172.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.09 -40.05 94.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.253 -0.885 . . . . 1.68 110.626 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.26 -50.05 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 0.96 110.252 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.73 72.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.24 111.511 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.05 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.186 0.517 . . . . 0.33 110.521 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.61 -42.15 87.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 1.56 109.598 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.29 -55.57 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.98 -1.009 . . . . 0.24 112.266 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.68 -35.52 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.684 -0.407 . . . . 0.18 111.077 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -61.31 -31.72 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.57 110.436 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -68.37 -47.61 66.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.351 -0.386 . . . . 1.39 110.744 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -65.86 -34.73 78.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.836 -0.346 . . . . 1.04 110.809 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.129 0.49 . . . . 0.9 109.978 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.528 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 22.6 t -72.87 -45.44 58.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 0.84 110.36 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.51 -44.77 93.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.28 111.371 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.43 -33.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.068 -0.253 . . . . 0.34 110.856 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.46 -48.66 78.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 2.49 110.502 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.528 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.8 mttm -76.02 -6.12 49.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 1.41 110.745 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.09 42.3 31.65 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 114.849 -1.069 . . . . 1.79 111.457 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.84 -5.2 52.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 1.84 111.299 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.82 147.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.149 -0.315 . . . . 0.36 110.149 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -58.32 155.83 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.655 -0.702 . . . . 1.47 111.736 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.4 -42.84 70.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.766 0.317 . . . . 1.87 111.559 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.02 -43.14 96.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 1.84 110.08 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.6 91.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.873 -0.679 . . . . 0.3 111.886 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.56 -48.28 75.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.388 0.275 . . . . 0.24 111.616 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.26 -39.88 84.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.858 0.361 . . . . 1.47 110.694 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.8 m -64.84 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 0.92 110.957 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.18 -35.15 61.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.21 110.491 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -62.03 -52.07 65.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 0.21 110.869 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.21 -31.41 53.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 0.26 110.545 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.449 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.44 -52.03 65.16 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.319 -0.401 . . . . 0.18 110.317 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.41 -43.47 79.38 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.378 -0.374 . . . . 0.21 111.774 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.2 -37.72 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.52 0.192 . . . . 1.68 111.52 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 72.7 m -66.76 -40.03 88.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.855 0.36 . . . . 0.27 110.671 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.449 HG13 ' O ' ' B' ' 36' ' ' ALA . 74.1 mt -65.83 -44.8 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.404 0.621 . . . . 0.16 110.018 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 29.3 t -55.56 -53.35 57.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.972 -1.013 . . . . 1.13 110.643 177.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.78 -38.62 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 2.23 111.112 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.94 -53.78 53.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.25 111.822 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 96.5 m-85 -89.44 -8.74 52.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.222 0.453 . . . . 1.15 112.222 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.35 48.29 31.48 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 116.052 -0.522 . . . . 0.43 113.224 176.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 14.8 p90 -137.36 160.59 38.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 1.27 109.918 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -90.64 153.83 20.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.756 0.313 . . . . 1.92 110.176 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -80.06 -24.07 40.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 2.57 110.026 -173.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -87.55 -14.76 39.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 2.24 110.762 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.65 0.63 46.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 0.48 111.031 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 18.1 m -50.44 -43.89 23.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.476 -0.784 . . . . 0.41 112.503 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -59.73 -48.35 82.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 1.25 111.012 -178.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.82 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.728 -0.669 . . . . 0.59 112.533 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.14 -49.58 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.838 0.352 . . . . 0.57 110.613 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 0.65 111.496 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 10.7 ptpp? . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.933 0.397 . . . . 1.14 110.175 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.44 -41.03 85.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.591 -0.731 . . . . 2.11 110.533 175.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.99 -41.53 82.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.026 -0.534 . . . . 1.68 110.746 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.77 -43.0 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.184 -0.462 . . . . 0.96 110.417 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.53 67.86 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.475 -0.33 . . . . 0.25 110.908 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.23 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.33 110.612 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.59 -40.22 82.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.208 0.528 . . . . 1.56 110.809 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.18 -53.14 49.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.245 -0.889 . . . . 0.25 111.96 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.42 -30.94 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.586 -0.446 . . . . 0.18 110.548 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.42 -40.37 86.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.206 0.527 . . . . 0.57 110.129 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.442 ' OH ' ' HA ' ' B' ' 5' ' ' LYS . 48.7 t80 -61.17 -55.23 34.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.514 -0.766 . . . . 1.4 110.878 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.82 -34.6 78.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.394 -0.367 . . . . 1.05 111.013 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.9 m -61.59 -42.13 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 0.9 110.334 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -66.88 -42.13 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.84 110.326 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 24' ' ' GLU . 37.2 mm -60.84 -47.6 92.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.059 -0.519 . . . . 0.28 111.42 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.77 -32.42 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 121.102 -0.239 . . . . 0.34 111.407 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.38 -44.42 97.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.02 0.438 . . . . 2.49 110.778 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 88.7 mttt -83.59 -6.35 59.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 1.42 110.438 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt 55.43 42.61 29.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.927 -1.033 . . . . 1.79 111.286 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' A' ' 22' ' ' LYS . 13.5 mm-40 -70.94 -9.42 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 1.83 110.714 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.7 tt -124.99 149.89 29.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.282 -0.636 . . . . 0.36 109.282 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -60.71 162.19 6.95 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.194 0.309 . . . . 1.45 111.76 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -49.77 -54.22 20.38 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.76 -0.655 . . . . 1.87 112.397 -172.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.58 -43.18 99.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.85 110.997 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.05 98.15 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.933 -0.651 . . . . 0.31 111.982 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.04 75.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 0.24 111.393 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.22 -38.48 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 1.46 110.681 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -65.55 -30.87 71.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 0.92 110.253 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.42 -36.55 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.21 110.499 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -59.18 -50.53 73.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.21 110.904 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -31.95 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.52 -0.309 . . . . 0.25 110.431 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.16 -48.31 78.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.18 110.562 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.17 -43.64 82.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.21 111.889 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.32 -29.88 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.853 -0.339 . . . . 1.68 110.761 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.34 -38.23 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 0.26 109.977 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 36' ' ' ALA . 80.0 mt -63.64 -40.18 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.16 109.368 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -64.53 -41.79 96.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.155 -0.929 . . . . 1.13 110.259 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.18 -21.96 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.913 -0.585 . . . . 2.23 110.957 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.59 23.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.25 111.895 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.431 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 86.3 m-85 -106.62 -12.77 15.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.807 0.669 . . . . 1.15 112.807 -173.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.44 57.03 5.76 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.222 -0.513 . . . . 0.43 112.777 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 6.3 p90 -147.28 164.58 32.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.757 0.278 . . . . 1.27 110.505 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.69 157.93 16.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.288 -0.414 . . . . 1.92 110.022 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -79.82 -13.08 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 2.57 110.272 -176.432 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.32 -20.76 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 2.23 110.531 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.82 -3.84 49.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.48 111.027 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.4 m -47.04 -48.14 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 115.525 -0.761 . . . . 0.41 112.692 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 p -60.47 -44.74 95.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 1.24 111.217 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.76 -42.64 91.67 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.59 112.537 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.44 -49.79 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.071 0.462 . . . . 0.57 110.703 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 81.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.565 -0.743 . . . . 0.65 111.896 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.442 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 10.7 ptpp? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.888 0.375 . . . . 1.14 110.146 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.47 -40.92 85.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.627 -0.715 . . . . 2.11 110.505 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.36 -41.3 80.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 1.68 110.687 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 64.5 mt -68.87 -42.92 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.195 -0.457 . . . . 0.96 110.426 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.59 67.88 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.527 -0.306 . . . . 0.24 110.886 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.27 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.33 110.687 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.56 -40.3 82.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.166 0.507 . . . . 1.56 110.764 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.21 -53.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.26 -0.882 . . . . 0.24 112.008 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.46 -30.74 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.651 -0.419 . . . . 0.18 110.632 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -59.57 -40.39 87.19 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.187 0.518 . . . . 0.57 110.018 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.435 ' OH ' ' HA ' ' A' ' 5' ' ' LYS . 48.5 t80 -61.22 -55.22 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.424 -0.807 . . . . 1.39 110.836 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -63.71 -34.75 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 1.04 111.035 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 66.5 m -61.72 -41.66 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 0.9 110.334 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -67.31 -42.08 84.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.84 110.299 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' B' ' 24' ' ' GLU . 36.9 mm -60.89 -47.44 93.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.132 -0.485 . . . . 0.28 111.425 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.72 -32.56 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.218 -0.193 . . . . 0.34 111.374 -177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.5 -44.12 97.65 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.073 0.463 . . . . 2.49 110.737 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.514 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 88.6 mttt -83.76 -6.52 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.309 0.576 . . . . 1.41 110.542 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt 55.65 42.59 29.29 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 114.781 -1.1 . . . . 1.79 111.282 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' B' ' 22' ' ' LYS . 13.1 mm-40 -71.06 -9.46 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.691 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.67 150.18 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.337 -0.616 . . . . 0.36 109.337 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.8 t -60.92 162.12 7.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.733 0.301 . . . . 1.47 111.675 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -49.56 -54.62 17.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.628 -0.714 . . . . 1.87 112.332 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.28 -43.64 98.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 1.84 110.793 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.01 98.38 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.733 -0.667 . . . . 0.3 112.097 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.14 76.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.704 0.288 . . . . 0.24 111.267 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.97 -38.65 91.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.871 0.367 . . . . 1.47 110.614 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.8 t -65.18 -31.01 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.969 -0.559 . . . . 0.92 110.379 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.45 -36.59 63.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 0.21 110.488 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.17 -50.5 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.21 110.972 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.31 -31.92 53.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.754 0.311 . . . . 0.26 110.584 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.22 -48.25 79.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.226 -0.443 . . . . 0.18 110.546 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.11 -43.72 82.55 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.21 111.885 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.61 -29.6 68.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 1.68 110.624 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.34 -38.47 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.213 0.53 . . . . 0.27 109.956 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 36' ' ' ALA . 78.9 mt -63.59 -40.18 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.438 0.637 . . . . 0.16 109.361 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.9 m -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 1.13 110.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.92 -22.4 66.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.943 -0.571 . . . . 2.23 110.977 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.25 -41.69 24.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.25 111.805 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.425 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 86.0 m-85 -106.77 -12.52 15.5 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.757 0.651 . . . . 1.15 112.757 -173.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.43 56.72 5.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.257 -0.496 . . . . 0.43 112.838 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 6.3 p90 -147.19 164.37 33.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.888 0.344 . . . . 1.27 110.441 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -101.46 157.86 16.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 1.92 110.001 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -79.79 -12.72 59.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.068 0.461 . . . . 2.57 110.409 -176.538 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -92.7 -20.5 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 2.24 110.501 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.0 -3.73 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.48 110.97 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.656 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.3 m -47.11 -48.04 8.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.568 -0.742 . . . . 0.41 112.704 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -60.73 -44.81 96.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.673 0.273 . . . . 1.25 111.261 -175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -42.34 90.97 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.987 -0.551 . . . . 0.59 112.594 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -72.75 -49.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.982 0.42 . . . . 0.57 110.685 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 81.9 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.662 -0.699 . . . . 0.65 111.938 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' B' ' 24' ' ' GLU . 19.0 pttp . . . . . 0 C--O 1.227 -0.115 0 N-CA-C 112.278 0.473 . . . . 1.14 112.278 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.91 -50.59 70.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 2.11 110.525 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.16 -35.66 81.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.533 -0.758 . . . . 1.68 111.278 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.497 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 18.6 mt -69.46 -43.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.741 -0.384 . . . . 0.96 110.724 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.9 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.25 111.006 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.25 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 0.33 110.652 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.56 -44.33 96.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.342 0.592 . . . . 1.56 109.479 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.461 HD13 HG23 ' B' ' 12' ' ' ILE . 89.7 mt -59.69 -53.05 53.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.957 -1.02 . . . . 0.25 112.04 -177.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.67 -35.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.517 -0.473 . . . . 0.18 110.795 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -59.09 -42.8 91.31 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.083 0.468 . . . . 0.57 110.442 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.506 ' O ' HG12 ' A' ' 19' ' ' ILE . 74.6 t80 -63.61 -50.15 70.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.772 -0.649 . . . . 1.4 110.767 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -65.02 -35.57 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.788 -0.365 . . . . 1.05 111.034 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 m -61.02 -40.22 92.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.937 -0.394 . . . . 0.9 109.937 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.6 t -66.97 -42.11 85.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.84 110.112 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 15' ' ' TYR . 42.3 mm -60.9 -47.96 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.28 111.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.65 -36.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.076 -0.25 . . . . 0.34 111.398 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.24 -43.92 96.7 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.905 0.383 . . . . 2.49 110.794 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -85.33 -1.36 56.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.264 0.554 . . . . 1.42 110.903 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 55.38 46.35 23.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.789 -1.096 . . . . 1.79 111.784 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB2' HG23 ' A' ' 19' ' ' ILE . 43.3 mm-40 -80.71 -3.46 50.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.77 -0.65 . . . . 1.83 110.568 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.8 tt -132.06 149.14 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.914 -0.585 . . . . 0.36 109.512 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -61.16 161.85 8.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 1.45 112.081 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -49.67 -57.05 7.96 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.29 0.848 . . . . 1.87 113.29 -172.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.56 -37.55 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 1.85 110.525 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -60.62 -47.09 92.89 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.758 -0.734 . . . . 0.31 111.557 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.22 82.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.671 0.272 . . . . 0.24 111.371 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.67 -39.82 92.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.851 0.358 . . . . 1.46 110.736 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 m -64.31 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.92 110.718 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 93.8 mt -76.13 -33.84 59.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.554 -0.294 . . . . 0.21 110.591 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.07 -49.82 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.21 110.659 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.2 m -68.79 -28.42 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 0.25 110.552 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -65.14 -53.29 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.18 110.511 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.07 -37.54 74.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.369 -0.378 . . . . 0.21 110.997 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.1 -46.33 85.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 1.68 110.676 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.77 -34.88 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.26 111.132 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 36' ' ' ALA . 91.9 mt -65.1 -49.16 80.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.141 0.496 . . . . 0.16 110.383 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.624 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 18.6 m -62.22 -40.43 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 1.13 110.471 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.54 -36.73 84.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 2.23 111.098 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.03 62.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.519 -0.31 . . . . 0.25 111.698 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.79 -5.78 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 1.15 111.434 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.13 9.81 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.43 113.19 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.624 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 21.5 p90 -141.46 170.0 16.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.017 0.408 . . . . 1.27 110.797 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -103.1 155.52 18.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 1.92 110.132 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -80.64 -14.98 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.156 0.503 . . . . 2.57 110.14 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.39 -8.07 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.864 -0.607 . . . . 2.23 110.608 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.56 -3.64 57.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 0.48 110.866 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.497 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.7 m -54.28 -41.08 50.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 112.828 0.677 . . . . 0.41 112.828 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 t -61.76 -50.97 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.372 . . . . 1.24 110.44 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.47 72.49 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.775 -0.648 . . . . 0.59 112.994 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -74.06 -53.84 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.57 111.015 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 90.2 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.469 -0.787 . . . . 0.65 113.074 -175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.231 0.087 0 N-CA-C 112.344 0.498 . . . . 1.14 112.344 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.86 -50.39 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.206 0.527 . . . . 2.11 110.61 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.06 -35.71 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.433 -0.803 . . . . 1.68 111.348 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.455 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 18.6 mt -69.41 -43.46 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.67 -0.412 . . . . 0.96 110.7 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.66 -39.0 70.33 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.767 0.318 . . . . 0.24 111.028 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.35 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.33 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.46 -44.28 96.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.314 0.578 . . . . 1.56 109.494 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.461 HG23 HD13 ' A' ' 12' ' ' ILE . 89.1 mt -59.75 -52.94 55.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.945 -1.025 . . . . 0.24 112.07 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.73 -35.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.568 -0.453 . . . . 0.18 110.836 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -59.0 -42.75 90.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.57 110.397 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.512 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.6 t80 -63.78 -50.12 70.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 1.39 110.692 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -64.91 -35.56 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.824 -0.351 . . . . 1.04 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.5 m -60.98 -40.44 93.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.888 -0.412 . . . . 0.9 109.888 176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -66.72 -42.16 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 0.84 110.161 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 15' ' ' TYR . 42.4 mm -61.02 -47.89 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 0.28 111.308 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -74.81 -36.17 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.114 -0.235 . . . . 0.34 111.466 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.77 -43.36 96.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.984 0.421 . . . . 2.49 110.903 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -85.65 -1.42 57.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.129 0.49 . . . . 1.41 110.742 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.61 45.68 24.3 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.042 -0.981 . . . . 1.79 112.001 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.432 ' O ' ' HE2' ' A' ' 5' ' ' LYS . 43.4 mm-40 -80.16 -3.76 50.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.734 -0.666 . . . . 1.84 110.662 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 tt -131.64 149.25 32.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.818 -0.628 . . . . 0.36 109.504 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -61.44 162.12 8.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.168 0.433 . . . . 1.47 112.168 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -49.84 -57.17 7.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.25 0.833 . . . . 1.87 113.25 -171.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.48 -37.72 88.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.034 0.445 . . . . 1.84 110.435 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -60.33 -47.46 90.97 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.702 -0.761 . . . . 0.3 111.509 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.14 82.31 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.426 0.29 . . . . 0.24 111.446 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.55 -40.13 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.899 0.38 . . . . 1.47 110.643 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -64.15 -31.02 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.92 110.686 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 93.7 mt -75.96 -33.87 59.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.533 -0.303 . . . . 0.21 110.526 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -61.19 -49.57 76.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.403 -0.362 . . . . 0.21 110.735 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.92 -28.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.26 110.562 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.471 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -65.27 -53.4 44.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.18 110.366 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -57.97 -37.5 74.31 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.374 -0.376 . . . . 0.21 110.905 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.32 -46.15 86.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.565 -0.743 . . . . 1.68 110.701 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.71 -34.99 70.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 0.27 111.173 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 36' ' ' ALA . 91.7 mt -65.0 -49.14 81.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.131 0.491 . . . . 0.16 110.325 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.623 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -62.23 -40.45 96.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.572 -0.74 . . . . 1.13 110.552 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.39 -37.1 85.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.986 -0.552 . . . . 2.23 110.997 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -52.7 64.41 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.844 0.313 . . . . 0.25 111.844 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -91.31 -5.43 54.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 1.15 111.48 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.58 55.34 10.04 Favored Glycine 0 C--N 1.332 0.333 0 CA-C-N 115.461 -0.79 . . . . 0.43 113.163 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.623 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 21.3 p90 -141.77 169.76 16.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.92 0.36 . . . . 1.27 110.793 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -102.98 155.54 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.92 109.955 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -80.58 -15.17 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.056 0.455 . . . . 2.57 110.075 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.56 -7.24 55.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.966 -0.561 . . . . 2.24 110.736 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 -3.5 56.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.002 -0.544 . . . . 0.48 110.823 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 27.5 m -54.56 -41.44 54.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 115.762 -0.654 . . . . 0.41 112.764 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -61.14 -51.18 70.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 1.25 110.412 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.51 -38.89 72.25 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.903 -0.59 . . . . 0.59 113.188 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.33 -53.75 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.931 0.396 . . . . 0.57 111.106 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 89.9 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.348 -0.842 . . . . 0.65 112.991 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.537 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 17.9 pttp . . . . . 0 CA--C 1.522 -0.096 0 N-CA-C 113.042 0.756 . . . . 1.14 113.042 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.29 -43.48 86.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.69 0.281 . . . . 2.11 110.724 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.29 -50.91 69.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.293 0.568 . . . . 1.68 110.3 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.409 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 mm -65.54 -45.56 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.397 -0.82 . . . . 0.96 110.856 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.36 71.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.687 0.28 . . . . 0.25 111.416 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 0.33 110.491 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.12 -40.21 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.856 -0.611 . . . . 1.56 109.734 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.455 HG12 HG12 ' B' ' 12' ' ' ILE . 74.3 mt -62.02 -54.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 0.25 112.196 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.8 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 0.18 110.986 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.05 -37.35 76.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.185 0.517 . . . . 0.57 110.312 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.521 ' OH ' ' HA ' ' B' ' 5' ' ' LYS . 83.6 t80 -63.48 -51.85 63.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 1.4 110.616 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.39 -35.29 80.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.559 -0.292 . . . . 1.05 110.71 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -60.9 -35.51 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.12 0.486 . . . . 0.9 110.026 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 48.6 m -73.93 -41.14 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.84 110.974 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.9 mm -63.05 -44.02 99.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.45 -0.341 . . . . 0.28 111.1 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -74.22 -31.63 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.684 -0.235 . . . . 0.34 110.957 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.49 -50.92 72.0 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.333 0.587 . . . . 2.49 110.633 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 18' ' ' SER . 46.1 mttm -86.37 -3.2 58.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 1.42 110.968 -174.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.95 45.22 29.25 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.667 -1.152 . . . . 1.79 112.197 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.05 9.09 15.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.83 110.568 177.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.15 151.24 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 0.36 109.253 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -54.2 140.41 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 1.45 110.168 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.95 -27.43 69.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.932 -0.576 . . . . 1.87 112.02 -170.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.79 -46.6 78.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.282 0.563 . . . . 1.85 109.506 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.32 -34.8 86.38 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.339 -0.846 . . . . 0.31 111.81 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.93 83.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.709 0.29 . . . . 0.24 110.981 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.88 -37.53 84.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 1.46 110.352 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -65.59 -33.03 74.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.802 -0.636 . . . . 0.92 110.26 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.32 -34.6 65.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.21 110.468 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -60.22 -51.53 69.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.21 110.794 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.2 -28.65 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.25 110.763 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.99 -49.8 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.274 -0.421 . . . . 0.18 110.329 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.8 -37.64 76.79 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.21 111.647 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -41.63 99.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 1.68 111.055 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.64 -34.78 78.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.441 . . . . 0.26 110.405 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.7 mt -69.02 -47.07 77.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.524 . . . . 0.16 110.709 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 11.7 p -65.56 -37.43 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 1.13 111.011 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.01 -37.53 85.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 2.23 110.802 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -51.62 53.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.25 112.038 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 84.6 m-85 -94.62 -7.39 41.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.152 0.427 . . . . 1.15 112.152 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.75 30.11 Favored Glycine 0 C--O 1.229 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.43 113.066 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 14.9 p90 -135.28 165.01 26.42 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.642 -0.328 . . . . 1.27 110.554 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.98 149.51 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 1.92 110.032 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -20.73 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.008 0.432 . . . . 2.57 110.402 -173.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.01 -7.43 45.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 2.23 110.785 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.5 1.53 57.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.108 -0.496 . . . . 0.48 110.574 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.83 -36.59 15.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 115.455 -0.793 . . . . 0.41 112.755 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -61.86 -46.96 87.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.311 . . . . 1.24 110.776 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -39.42 83.78 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.861 -0.609 . . . . 0.59 112.825 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.29 -54.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.727 0.298 . . . . 0.57 111.069 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.65 111.807 -176.206 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.521 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 17.9 pttp . . . . . 0 CA--C 1.523 -0.08 0 N-CA-C 113.036 0.754 . . . . 1.14 113.036 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.17 -43.58 86.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.811 0.338 . . . . 2.11 110.724 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.18 -50.9 69.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.239 0.542 . . . . 1.68 110.394 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.406 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.6 mm -65.57 -45.45 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.84 . . . . 0.96 110.779 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.28 71.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.669 0.271 . . . . 0.24 111.432 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 0.33 110.464 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.865 -0.607 . . . . 1.56 109.697 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.455 HG12 HG12 ' A' ' 12' ' ' ILE . 74.4 mt -62.01 -54.84 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.145 -0.934 . . . . 0.24 112.17 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.8 -35.31 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.568 -0.453 . . . . 0.18 110.935 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -59.19 -37.41 77.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.167 0.508 . . . . 0.57 110.228 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.537 ' OH ' ' HA ' ' A' ' 5' ' ' LYS . 83.0 t80 -63.23 -51.85 64.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.643 -0.708 . . . . 1.39 110.705 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.635 -0.257 . . . . 1.04 110.801 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -61.17 -35.1 76.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 0.9 110.19 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' B' ' 22' ' ' LYS . 46.5 m -74.41 -40.9 61.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.679 -0.691 . . . . 0.84 110.896 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.422 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.6 mm -63.12 -43.93 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 0.28 111.155 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.37 -31.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.608 -0.269 . . . . 0.34 110.81 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.42 -50.53 73.37 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.317 0.579 . . . . 2.49 110.605 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 18' ' ' SER . 46.4 mttm -86.83 -3.02 59.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.497 -0.774 . . . . 1.41 110.831 -174.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.72 45.19 29.17 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.686 -1.143 . . . . 1.79 112.247 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.14 9.35 15.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 1.84 110.615 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.39 151.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.612 -0.722 . . . . 0.36 109.155 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.23 140.54 32.42 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.375 0.422 . . . . 1.47 110.143 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.31 -26.81 68.94 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 1.87 112.13 -170.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -46.88 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.567 -0.531 . . . . 1.84 109.567 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -34.67 87.8 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.324 -0.853 . . . . 0.3 111.932 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.26 83.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.717 0.294 . . . . 0.24 110.963 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.76 -37.41 84.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.087 0.47 . . . . 1.47 110.438 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.48 -33.29 75.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 0.92 110.184 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.93 -34.77 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.21 110.518 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.18 -51.5 69.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.21 110.788 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.18 -28.66 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 0.26 110.797 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.91 -49.85 73.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 0.18 110.319 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.96 -37.73 77.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.21 111.588 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -41.9 99.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.698 0.285 . . . . 1.68 111.02 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.74 -34.73 78.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 0.27 110.528 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.0 mt -68.89 -47.23 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.16 110.64 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 12.3 p -65.65 -36.95 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 1.13 111.126 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -62.45 -37.39 85.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 2.23 110.795 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -51.36 55.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.25 112.13 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 84.6 m-85 -95.01 -6.88 41.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.112 0.412 . . . . 1.15 112.112 -174.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 47.62 32.79 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.43 113.102 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 14.7 p90 -135.07 165.47 25.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.771 0.32 . . . . 1.27 110.538 -178.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -98.2 149.4 22.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.947 -0.57 . . . . 1.92 110.061 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.78 42.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 2.57 110.453 -173.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.96 -7.49 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.194 0.521 . . . . 2.24 110.824 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.35 1.38 57.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 0.48 110.632 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.78 -36.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.483 -0.781 . . . . 0.41 112.729 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -61.95 -46.45 89.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 1.25 110.832 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.58 -39.91 86.26 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.59 112.789 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -75.13 -54.77 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.57 111.065 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.536 . . . . 0.65 111.784 -176.415 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 pttm . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.651 0.262 . . . . 1.14 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.97 -41.01 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.98 -0.554 . . . . 2.11 110.499 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.15 -46.46 90.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.191 0.519 . . . . 1.68 110.242 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.552 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 44.9 mt -70.12 -46.57 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 0.96 110.726 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.99 65.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.616 0.246 . . . . 0.25 111.343 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.94 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.33 110.504 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.1 -40.8 86.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 1.56 110.6 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 8' ' ' ILE . 77.3 mt -60.55 -57.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 0.25 111.881 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.62 -35.88 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.896 -0.321 . . . . 0.18 110.803 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -58.82 -42.19 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.57 110.591 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.554 ' CZ ' HD12 ' B' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.21 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 1.4 111.043 -176.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.1 -38.75 92.41 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.88 -0.328 . . . . 1.05 110.422 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -62.59 -35.66 80.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 0.9 110.042 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -72.91 -43.65 62.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.84 110.479 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 15' ' ' TYR . 36.9 mm -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.28 111.41 -179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.42 -33.78 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.019 -0.272 . . . . 0.34 111.0 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.37 -48.37 81.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.921 0.391 . . . . 2.49 110.653 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -80.76 -4.0 52.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.023 -0.535 . . . . 1.42 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt 55.67 41.92 29.96 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.066 -0.97 . . . . 1.79 111.782 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.89 5.9 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.945 0.403 . . . . 1.83 111.1 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' CE1' ' B' ' 44' ' ' PHE . 15.8 tt -130.59 146.68 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.481 -0.563 . . . . 0.36 109.481 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -57.79 151.57 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.231 -0.44 . . . . 1.45 111.308 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -50.21 -48.16 54.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.227 0.454 . . . . 1.87 112.227 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.17 -41.98 80.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.287 0.565 . . . . 1.85 110.8 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -68.28 -41.25 86.47 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.31 112.066 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.672 0.249 . . . . 0.24 111.672 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.27 -39.72 87.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 1.46 110.669 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.34 -30.38 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 0.92 110.556 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.93 -33.41 57.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.305 . . . . 0.21 110.757 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -63.3 -48.36 78.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.21 110.795 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 m -68.09 -29.85 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 0.25 110.397 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.296 -0.411 . . . . 0.18 110.477 176.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.2 mtm -56.74 -38.1 71.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 0.21 111.407 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.85 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 1.68 110.763 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.6 m -64.68 -36.38 84.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.26 111.311 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 36' ' ' ALA . 87.8 mt -66.09 -49.43 76.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.487 . . . . 0.16 110.4 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.463 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 14.9 m -64.12 -39.4 93.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 1.13 110.775 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.84 -27.56 67.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 2.23 111.08 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -51.4 24.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.545 -0.298 . . . . 0.25 111.354 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' B' ' 25' ' ' ILE . 74.6 m-85 -93.48 -6.21 47.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 1.15 111.9 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.06 54.3 28.46 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.43 112.973 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 17.1 p90 -136.81 166.79 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.856 0.328 . . . . 1.27 110.528 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -96.96 147.36 24.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 1.92 109.879 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -81.08 -18.3 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.138 0.494 . . . . 2.57 110.057 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -84.96 -4.17 59.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 2.23 110.411 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.89 1.26 56.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.837 -0.62 . . . . 0.48 110.839 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.662 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 m -55.28 -39.4 51.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-N 116.083 -0.508 . . . . 0.41 111.83 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 p -57.06 -56.93 15.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.777 0.322 . . . . 1.24 110.967 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.18 -38.55 56.64 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.745 -0.662 . . . . 0.59 113.375 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -45.74 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.843 0.322 . . . . 0.57 111.091 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.249 -0.432 . . . . 0.65 111.322 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 pttm . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.699 0.285 . . . . 1.14 110.936 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.09 -40.93 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.972 -0.558 . . . . 2.11 110.495 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.16 -46.53 90.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.066 -0.515 . . . . 1.68 110.258 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.554 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 45.2 mt -70.12 -46.5 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.528 -0.76 . . . . 0.96 110.78 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.57 -39.84 65.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.601 0.238 . . . . 0.24 111.338 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.82 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.33 110.545 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.11 -40.7 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.002 0.43 . . . . 1.56 110.672 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 8' ' ' ILE . 77.3 mt -60.75 -57.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.534 -0.757 . . . . 0.24 111.758 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.38 -36.1 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.943 -0.303 . . . . 0.18 110.808 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -58.92 -41.96 88.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.57 110.694 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.552 ' CZ ' HD12 ' A' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.3 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 1.39 110.956 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.15 -38.6 91.81 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.899 -0.32 . . . . 1.04 110.441 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -62.83 -35.27 79.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 0.9 110.118 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -73.17 -43.66 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.84 110.443 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.424 HG12 ' O ' ' B' ' 15' ' ' TYR . 37.0 mm -61.02 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.28 111.324 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -72.28 -33.91 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 121.029 -0.269 . . . . 0.34 110.997 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.37 -48.42 81.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.098 0.475 . . . . 2.49 110.672 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -80.77 -3.95 52.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.979 -0.555 . . . . 1.41 111.04 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt 55.65 41.73 30.2 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.984 -1.007 . . . . 1.79 111.789 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.79 5.86 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 1.84 111.002 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.463 HD12 ' CE1' ' A' ' 44' ' ' PHE . 15.9 tt -130.54 146.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.525 -0.546 . . . . 0.36 109.525 177.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -57.81 151.61 17.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.283 -0.417 . . . . 1.47 111.381 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.1 -48.03 53.51 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.267 0.469 . . . . 1.87 112.267 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.41 -42.35 82.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.092 0.473 . . . . 1.84 110.683 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.79 -41.53 88.51 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.566 -0.743 . . . . 0.3 112.058 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.28 -48.97 75.56 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 111.63 0.233 . . . . 0.24 111.63 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.23 -39.6 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.443 . . . . 1.47 110.707 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -65.45 -30.54 71.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 0.92 110.581 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 90.7 mt -76.85 -33.26 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.21 110.724 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.4 -48.39 78.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.248 -0.433 . . . . 0.21 110.772 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.21 -29.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.946 -0.301 . . . . 0.26 110.467 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.97 -50.3 69.11 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.475 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.1 mtm -56.54 -38.51 71.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.328 -0.396 . . . . 0.21 111.327 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.85 -48.3 82.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.511 . . . . 1.68 110.665 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 86.3 m -64.94 -36.38 84.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.27 111.28 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 36' ' ' ALA . 88.1 mt -66.05 -49.22 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.219 0.533 . . . . 0.16 110.474 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.466 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.1 m -64.64 -39.28 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.622 -0.717 . . . . 1.13 110.717 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.85 -26.8 67.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.03 -0.532 . . . . 2.23 111.229 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.07 -51.17 22.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.707 0.289 . . . . 0.25 111.412 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CE1' HD12 ' A' ' 25' ' ' ILE . 74.9 m-85 -93.35 -7.16 45.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 1.15 111.889 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.8 54.11 27.14 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.43 113.053 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 17.1 p90 -136.8 166.3 23.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.888 0.344 . . . . 1.27 110.45 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -96.61 147.32 24.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 1.92 109.758 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -80.9 -18.54 46.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.988 0.423 . . . . 2.57 110.115 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.56 -4.85 59.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 2.24 110.418 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.2 0.96 57.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 0.48 110.739 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.671 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 17.3 m -54.95 -39.45 49.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.41 111.857 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.8 p -57.15 -56.98 14.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.857 0.36 . . . . 1.25 110.897 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.42 -38.12 57.0 Favored Glycine 0 CA--C 1.52 0.382 0 CA-C-N 115.684 -0.689 . . . . 0.59 113.305 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.5 mt -74.49 -45.83 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.025 0.413 . . . . 0.57 111.081 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 23.9 mt . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.324 -0.398 . . . . 0.65 111.279 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.943 0.402 . . . . 1.14 109.957 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.18 -42.54 93.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.496 -0.774 . . . . 2.11 110.121 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -58.16 -51.19 70.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.408 0.623 . . . . 1.68 110.564 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 49.1 mt -66.9 -43.1 89.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.206 -0.907 . . . . 0.96 110.943 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.63 72.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.508 0.195 . . . . 0.25 111.217 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -46.54 90.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.33 110.74 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.22 -43.45 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.484 . . . . 1.56 110.328 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 8' ' ' ILE . 85.5 mt -59.29 -54.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.152 -0.931 . . . . 0.25 112.067 -176.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.61 -39.78 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.696 -0.402 . . . . 0.18 111.001 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.76 -33.93 73.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.44 . . . . 0.57 110.517 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.49 ' O ' HG12 ' A' ' 19' ' ' ILE . 55.1 t80 -65.88 -50.43 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 1.4 110.803 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.25 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.986 -0.286 . . . . 1.05 110.497 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 49.0 m -61.05 -43.87 98.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.248 -0.433 . . . . 0.9 109.848 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -65.06 -38.15 89.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.316 -0.402 . . . . 0.84 110.473 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 15' ' ' TYR . 45.7 mm -61.85 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.491 -0.322 . . . . 0.28 111.223 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -75.71 -28.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.063 -0.255 . . . . 0.34 111.092 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 17' ' ' SER . 29.0 mm-40 -64.84 -47.8 76.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.956 0.408 . . . . 2.49 110.602 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.81 -11.26 59.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.42 111.022 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.31 40.99 32.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.938 -1.028 . . . . 1.79 111.647 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.1 8.23 6.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.964 -0.562 . . . . 1.83 111.143 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.49 149.42 24.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.586 -0.524 . . . . 0.36 109.586 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -58.28 148.16 28.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.11 0.481 . . . . 1.45 110.06 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.42 -28.38 69.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.337 -0.847 . . . . 1.87 112.324 -170.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 1.85 109.732 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -39.02 90.12 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.31 111.453 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.42 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.24 111.132 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.24 -39.68 91.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 1.46 110.472 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -63.8 -34.48 78.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.984 -0.553 . . . . 0.92 110.265 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.32 -37.01 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.826 0.346 . . . . 0.21 110.522 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -59.81 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.21 110.826 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.5 m -71.8 -31.75 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.846 -0.342 . . . . 0.25 110.667 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -59.4 -52.98 63.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.74 0.305 . . . . 0.18 110.404 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mtm -57.02 -38.81 73.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.114 -0.494 . . . . 0.21 111.375 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -45.96 90.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 1.68 110.606 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.88 -40.48 95.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.26 110.764 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 36' ' ' ALA . 83.2 mt -64.16 -47.69 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.16 110.349 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.579 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 22.3 m -62.15 -41.38 98.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.681 . . . . 1.13 110.825 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.3 -41.35 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 2.23 110.834 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.96 94.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.25 112.146 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -104.6 -3.49 23.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.886 0.374 . . . . 1.15 111.801 -176.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.8 46.14 54.73 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.896 -0.593 . . . . 0.43 113.386 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 16.8 p90 -133.75 165.1 25.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.752 0.276 . . . . 1.27 110.394 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.49 154.25 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.133 -0.485 . . . . 1.92 109.811 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -81.01 -22.4 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.232 -0.655 . . . . 2.57 109.232 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.9 -12.03 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.376 -0.829 . . . . 2.23 110.751 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.78 3.81 53.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.48 110.926 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.643 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 8.0 m -49.42 -45.21 18.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 115.824 -0.625 . . . . 0.41 112.068 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -56.28 -48.89 75.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 1.24 111.305 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.22 -45.31 52.21 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.646 -0.706 . . . . 0.59 112.953 175.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.9 mt -76.65 -40.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.536 . . . . 0.57 110.772 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 63.9 mt . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.866 -0.606 . . . . 0.65 111.907 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.99 0.424 . . . . 1.14 109.906 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.26 -42.5 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.795 . . . . 2.11 110.096 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.17 -51.16 70.88 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.461 0.648 . . . . 1.68 110.621 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.477 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 49.1 mt -66.88 -43.12 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.216 -0.902 . . . . 0.96 110.989 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.71 71.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.669 0.271 . . . . 0.24 111.33 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.39 90.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 0.33 110.697 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.37 -43.42 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 1.56 110.311 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.443 HG13 ' O ' ' B' ' 8' ' ' ILE . 85.1 mt -59.33 -54.69 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.165 -0.925 . . . . 0.24 112.072 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.76 -39.64 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.66 -0.416 . . . . 0.18 111.047 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -60.75 -33.93 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.982 0.42 . . . . 0.57 110.555 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.493 ' O ' HG12 ' B' ' 19' ' ' ILE . 55.1 t80 -66.04 -50.26 64.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 1.39 110.77 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.32 -32.88 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.665 0.269 . . . . 1.04 110.479 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' B' ' 21' ' ' GLU . 49.6 m -61.03 -43.94 98.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.9 109.925 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -65.02 -38.24 90.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.84 110.532 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 15' ' ' TYR . 45.6 mm -61.58 -43.33 96.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.467 -0.333 . . . . 0.28 111.233 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.82 -27.9 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.931 -0.308 . . . . 0.34 111.052 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' B' ' 17' ' ' SER . 27.6 mm-40 -65.04 -47.67 76.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.39 . . . . 2.49 110.469 173.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -75.8 -11.2 59.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.21 0.529 . . . . 1.41 111.036 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.57 40.41 31.83 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 114.879 -1.055 . . . . 1.79 111.648 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -78.9 8.75 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 1.84 111.14 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.95 149.13 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.654 -0.499 . . . . 0.36 109.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -57.87 147.87 27.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.16 0.505 . . . . 1.47 109.983 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.55 -28.24 69.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.832 . . . . 1.87 112.335 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -71.16 -40.3 71.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 1.84 109.699 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.81 -39.04 89.96 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.407 -0.677 . . . . 0.3 111.407 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.37 81.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.763 0.316 . . . . 0.24 111.15 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.43 -39.2 89.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.951 0.405 . . . . 1.47 110.568 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.4 t -63.96 -34.83 78.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.92 110.199 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.99 -37.01 75.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.411 -0.359 . . . . 0.21 110.584 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -59.86 -48.59 81.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.21 110.879 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.7 -31.7 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.791 -0.364 . . . . 0.26 110.678 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -59.44 -52.99 63.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 120.655 0.264 . . . . 0.18 110.404 175.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.6 mtm -56.98 -38.91 73.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.21 111.388 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.37 -46.09 90.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.68 110.577 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.94 -40.48 95.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 0.27 110.606 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.8 mt -64.3 -47.5 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.16 110.33 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.585 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 22.2 m -62.24 -41.24 98.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.772 -0.649 . . . . 1.13 110.779 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.64 -40.72 97.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 2.23 110.92 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.78 95.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.965 -0.562 . . . . 0.25 112.053 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -104.56 -3.6 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.644 -0.422 . . . . 1.15 111.801 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.91 46.31 53.1 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.43 113.332 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.585 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 16.8 p90 -133.79 165.22 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.896 0.348 . . . . 1.27 110.367 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.26 154.24 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.188 -0.46 . . . . 1.92 109.937 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 2.57 109.201 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.6 -11.85 52.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 2.24 110.699 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.85 3.87 53.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 0.48 110.958 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.643 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 8.2 m -49.57 -45.37 19.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.784 -0.644 . . . . 0.41 112.07 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 1.25 111.133 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.23 -45.02 52.46 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.647 -0.706 . . . . 0.59 113.052 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 56.6 mt -76.89 -40.61 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.172 0.51 . . . . 0.57 110.801 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 63.2 mt . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.828 -0.624 . . . . 0.65 112.011 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 pttm . . . . . 0 CA--C 1.526 0.046 0 N-CA-C 112.076 0.398 . . . . 1.14 112.076 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.58 -44.13 83.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 2.11 110.282 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -62.65 -41.99 99.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 1.68 110.65 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.86 -40.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.885 -0.598 . . . . 0.96 110.417 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.81 77.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.525 -0.307 . . . . 0.25 111.091 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.21 94.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.33 110.528 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.91 -45.34 94.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.822 -0.626 . . . . 1.56 109.456 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.35 -46.96 95.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.474 -0.784 . . . . 0.25 112.149 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.41 -36.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.501 -0.48 . . . . 0.18 110.981 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.39 -37.04 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.307 0.575 . . . . 0.57 109.779 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.559 ' O ' HG12 ' A' ' 19' ' ' ILE . 66.3 t80 -59.94 -53.05 62.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.351 -0.841 . . . . 1.4 110.543 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -64.8 -32.34 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.547 -0.297 . . . . 1.05 110.982 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.4 m -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.714 -0.476 . . . . 0.9 109.714 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.2 t -56.29 -33.51 65.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.259 0.552 . . . . 0.84 110.86 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.7 mm -71.92 -52.02 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.137 -0.483 . . . . 0.28 111.128 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.87 -42.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.27 0.47 . . . . 0.34 112.27 -174.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 2.49 111.393 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.34 57.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 1.42 111.194 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.54 49.59 16.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.117 -0.947 . . . . 1.79 111.515 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 19' ' ' ILE . 5.7 mm-40 -80.07 -7.53 58.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.659 -0.701 . . . . 1.83 109.88 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -130.55 154.18 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.578 -0.737 . . . . 0.36 109.758 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -60.24 159.03 10.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.296 0.373 . . . . 1.45 111.57 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.58 -54.81 23.63 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.085 0.772 . . . . 1.87 113.085 -171.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.66 -37.67 88.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.162 0.506 . . . . 1.85 110.441 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.92 -44.6 97.18 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.786 -0.721 . . . . 0.31 111.525 176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.53 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.547 0.213 . . . . 0.24 111.204 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.67 -41.08 97.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 1.46 110.354 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 m -64.18 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.809 -0.632 . . . . 0.92 110.97 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -76.65 -35.22 58.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.687 0.28 . . . . 0.21 110.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -60.21 -46.31 90.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.21 110.857 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 m -73.69 -27.53 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.25 110.578 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.41 -49.56 73.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.352 -0.385 . . . . 0.18 110.232 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.4 mtm -59.21 -34.78 72.58 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.118 -0.492 . . . . 0.21 110.921 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.03 -43.9 94.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.68 110.441 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.51 -38.56 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 0.26 110.872 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 36' ' ' ALA . 77.6 mt -66.05 -40.87 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.456 0.646 . . . . 0.16 109.743 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.34 -45.82 92.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.961 -1.018 . . . . 1.13 110.182 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.77 -34.07 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 2.23 111.314 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.41 71.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.258 -0.428 . . . . 0.25 111.877 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 99.1 m-85 -99.35 -4.67 31.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.055 0.455 . . . . 1.15 112.122 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.15 52.07 44.46 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.768 -0.651 . . . . 0.43 113.26 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 13.8 p90 -136.4 172.91 12.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.857 0.328 . . . . 1.27 110.323 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.533 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 28.4 mm-40 -107.13 150.45 26.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.02 -0.363 . . . . 1.92 110.02 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.533 ' NH1' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -80.22 -14.25 58.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 2.57 110.175 -173.144 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -80.22 -22.12 42.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 2.23 110.887 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -85.21 2.41 43.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 0.48 111.782 -177.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.6 m -53.73 -46.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.403 0.52 . . . . 0.41 112.403 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.74 -49.16 78.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 1.24 111.022 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.43 -38.15 78.21 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.634 -0.712 . . . . 0.59 113.24 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 50' ' ' ALA . 63.1 mt -76.57 -43.31 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 0.57 110.769 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 59.2 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.17 -0.468 . . . . 0.65 111.076 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 pttm . . . . . 0 C--O 1.23 0.051 0 N-CA-C 112.128 0.418 . . . . 1.14 112.128 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.71 -44.1 82.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.14 0.495 . . . . 2.11 110.27 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.563 -0.744 . . . . 1.68 110.701 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.98 -40.1 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 0.96 110.434 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.15 -40.96 78.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.586 -0.279 . . . . 0.24 111.014 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.174 -0.466 . . . . 0.33 110.542 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.78 -45.41 93.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.84 -0.618 . . . . 1.56 109.589 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.26 -47.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.391 -0.822 . . . . 0.24 112.132 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.39 -36.11 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.529 -0.468 . . . . 0.18 110.923 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -63.4 -36.94 85.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.344 0.593 . . . . 0.57 109.873 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.556 ' O ' HG12 ' B' ' 19' ' ' ILE . 67.0 t80 -59.91 -53.26 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.231 -0.895 . . . . 1.39 110.549 176.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -64.61 -32.47 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.57 -0.286 . . . . 1.04 110.96 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.9 m -60.22 -50.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.715 -0.476 . . . . 0.9 109.715 175.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.7 t -56.7 -33.39 66.41 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.169 0.509 . . . . 0.84 110.724 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.556 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.8 mm -71.99 -51.77 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.151 -0.477 . . . . 0.28 111.153 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.27 -41.95 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.233 0.457 . . . . 0.34 112.233 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.23 -37.94 87.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 2.49 111.425 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.27 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.432 . . . . 1.41 111.21 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.5 50.17 15.18 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.123 -0.944 . . . . 1.79 111.533 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' B' ' 19' ' ' ILE . 5.7 mm-40 -80.44 -7.7 59.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.741 -0.663 . . . . 1.84 109.796 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -130.32 154.21 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.755 . . . . 0.36 109.724 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -60.47 159.11 10.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.452 -0.34 . . . . 1.47 111.709 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.24 -54.68 23.45 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.15 0.796 . . . . 1.87 113.15 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.04 -37.73 88.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.089 0.471 . . . . 1.84 110.472 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.42 97.46 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.775 -0.726 . . . . 0.3 111.582 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.83 -45.39 86.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.564 0.221 . . . . 0.24 111.283 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.71 -41.1 97.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 1.47 110.341 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 46.3 m -64.13 -31.49 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.69 -0.686 . . . . 0.92 110.86 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.58 -35.24 58.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.323 . . . . 0.21 110.681 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -60.33 -46.33 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.21 110.791 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 20.8 m -73.66 -27.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.26 110.563 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.417 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.64 -49.48 73.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.381 -0.372 . . . . 0.18 110.131 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -59.14 -34.98 72.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.156 -0.474 . . . . 0.21 110.926 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.98 -43.96 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 1.68 110.397 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.0 m -67.59 -38.37 83.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 0.27 111.004 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 36' ' ' ALA . 77.6 mt -66.1 -40.87 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.16 109.815 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.1 -46.07 90.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 1.13 110.151 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.67 -34.05 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 2.23 111.256 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.3 71.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.25 111.919 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.431 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 99.1 m-85 -99.56 -4.6 30.79 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.026 0.38 . . . . 1.15 112.026 -174.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.02 52.15 44.34 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.43 113.231 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 14.0 p90 -136.36 173.11 12.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.832 0.316 . . . . 1.27 110.274 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.53 ' HA ' ' NH1' ' B' ' 48' ' ' ARG . 28.3 mm-40 -107.22 150.45 26.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.031 -0.359 . . . . 1.92 110.031 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.53 ' NH1' ' HA ' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -80.2 -14.3 58.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 2.57 110.118 -173.088 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -80.2 -22.07 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.347 -0.388 . . . . 2.24 111.071 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -85.29 2.25 44.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 0.48 111.613 -176.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 15.6 m -53.67 -46.23 61.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 112.407 0.521 . . . . 0.41 112.407 -177.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.68 -49.45 77.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.847 0.356 . . . . 1.25 110.899 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -38.38 75.67 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.802 -0.636 . . . . 0.59 113.276 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 50' ' ' ALA . 63.2 mt -76.39 -43.17 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 0.57 110.817 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 60.2 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.171 -0.468 . . . . 0.65 111.117 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 15.0 pttm . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 112.113 0.412 . . . . 1.14 112.113 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.53 -54.43 47.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.203 0.525 . . . . 2.11 110.96 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.4 -43.68 98.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 1.68 111.003 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.482 HG13 ' CZ ' ' B' ' 15' ' ' TYR . 47.9 mm -66.68 -49.59 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.846 -0.615 . . . . 0.96 110.674 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.38 69.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.602 -0.272 . . . . 0.25 111.305 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.14 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.33 110.862 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 1.56 109.7 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.458 HG23 HD13 ' B' ' 12' ' ' ILE . 66.3 mt -59.07 -57.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 0.25 112.003 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.12 -33.05 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 0.18 110.805 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.95 -42.42 98.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.57 110.399 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' B' ' 8' ' ' ILE . 47.5 t80 -66.89 -44.77 79.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.571 . . . . 1.4 111.052 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.68 -34.34 78.07 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.853 -0.339 . . . . 1.05 110.55 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.8 m -62.46 -33.9 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.9 110.355 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 m -71.99 -40.59 68.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.408 -0.36 . . . . 0.84 110.405 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.431 HG23 ' HB2' ' A' ' 24' ' ' GLU . 39.9 mm -60.24 -50.35 80.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.28 111.315 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.78 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.544 -0.298 . . . . 0.34 110.996 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.35 -42.76 98.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 2.49 111.297 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -86.07 -1.18 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 1.42 110.936 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.75 40.74 12.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.52 -0.764 . . . . 1.79 110.661 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 19.5 mm-40 -72.7 -14.37 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.158 -0.928 . . . . 1.83 111.192 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.4 tt -133.0 145.66 33.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.193 -0.458 . . . . 0.36 109.822 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 163.78 8.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 1.45 111.732 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -52.66 -48.57 66.37 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.475 0.546 . . . . 1.87 112.475 -171.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.25 -45.45 93.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.079 0.466 . . . . 1.85 110.148 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.03 97.76 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.31 111.961 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.537 0.208 . . . . 0.24 111.39 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.89 -38.14 87.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.391 . . . . 1.46 110.485 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.58 -36.56 84.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.901 -0.591 . . . . 0.92 110.276 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.95 -34.98 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 0.21 110.431 175.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.21 110.729 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 m -71.21 -30.42 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.495 -0.32 . . . . 0.25 110.547 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.77 -51.9 65.32 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.516 -0.311 . . . . 0.18 110.52 176.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.5 mtm -58.87 -36.12 74.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.427 -0.351 . . . . 0.21 111.051 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.03 -49.03 79.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 1.68 110.364 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.26 111.143 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 36' ' ' ALA . 84.6 mt -63.76 -47.59 90.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 0.16 110.306 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.509 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 15.8 m -63.72 -39.3 93.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.718 -0.674 . . . . 1.13 110.257 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.95 -49.18 78.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 2.23 110.825 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.01 59.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.538 -0.755 . . . . 0.25 112.233 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 90.3 m-85 -89.79 -4.15 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.958 0.409 . . . . 1.15 111.583 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.61 48.95 53.59 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.817 -0.629 . . . . 0.43 113.484 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.2 p90 -135.03 171.49 14.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.972 0.415 . . . . 1.27 110.885 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -101.97 153.04 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 1.92 109.715 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -79.26 -16.09 56.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.198 0.523 . . . . 2.57 110.189 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.18 -15.04 48.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.677 -0.692 . . . . 2.23 110.327 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.99 -0.34 56.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.868 -0.605 . . . . 0.48 111.394 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 m -50.27 -42.12 20.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.41 112.137 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -61.22 -48.95 79.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.927 0.394 . . . . 1.24 110.875 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.66 -42.01 83.73 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.481 -0.782 . . . . 0.59 112.939 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.1 mt -74.1 -46.34 45.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.776 0.288 . . . . 0.57 110.81 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 75.3 mt . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 116.21 -0.45 . . . . 0.65 111.362 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.451 ' HB2' ' CE1' ' B' ' 44' ' ' PHE . 15.1 pttm . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.143 0.424 . . . . 1.14 112.143 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -58.6 -54.41 47.41 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.158 0.504 . . . . 2.11 110.99 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.17 -43.79 98.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.321 -0.854 . . . . 1.68 111.005 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.515 HG13 ' CZ ' ' A' ' 15' ' ' TYR . 47.9 mm -66.68 -49.47 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 0.96 110.772 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.35 -37.26 69.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.518 -0.31 . . . . 0.24 111.352 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.12 71.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.33 110.748 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.25 -38.57 91.68 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.68 -0.489 . . . . 1.56 109.68 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.458 HD13 HG23 ' A' ' 12' ' ' ILE . 66.4 mt -59.08 -57.22 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.797 -0.638 . . . . 0.24 112.022 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.04 -33.16 61.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.772 -0.371 . . . . 0.18 110.742 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.57 110.385 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.482 ' CZ ' HG13 ' A' ' 8' ' ' ILE . 47.4 t80 -66.89 -44.94 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 1.39 110.967 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.56 -34.25 77.8 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.834 -0.346 . . . . 1.04 110.64 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 m -62.81 -33.39 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.9 110.452 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.0 m -72.1 -40.89 67.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 0.84 110.446 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.433 HG23 ' HB2' ' B' ' 24' ' ' GLU . 40.0 mm -60.14 -50.26 80.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 0.28 111.367 -178.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.76 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.558 -0.292 . . . . 0.34 111.09 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.42 -42.68 98.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 2.49 111.199 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -85.82 -1.95 57.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 1.41 110.914 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 62.14 40.82 11.44 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.57 -0.741 . . . . 1.79 110.688 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.433 ' HB2' HG23 ' B' ' 19' ' ' ILE . 19.1 mm-40 -72.85 -14.36 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.186 -0.916 . . . . 1.84 111.186 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.14 145.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.129 -0.487 . . . . 0.36 109.851 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -62.35 164.11 7.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.47 111.812 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -52.83 -48.71 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.459 0.54 . . . . 1.87 112.459 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.97 -45.4 93.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.129 0.49 . . . . 1.84 110.168 -176.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.97 97.41 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.579 -0.737 . . . . 0.3 111.942 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.44 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.571 0.224 . . . . 0.24 111.348 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.03 -38.29 88.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.926 0.393 . . . . 1.47 110.563 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.23 -36.88 85.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.85 -0.613 . . . . 0.92 110.193 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.72 -35.05 72.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 0.21 110.477 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.77 -49.55 77.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.21 110.773 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.27 -30.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 0.26 110.639 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.504 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.97 -52.11 64.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.491 -0.322 . . . . 0.18 110.432 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.4 mtm -58.62 -36.25 73.76 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.443 -0.344 . . . . 0.21 111.021 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.15 -48.86 79.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 1.68 110.309 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.61 -37.39 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.27 111.102 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 36' ' ' ALA . 84.5 mt -63.86 -47.54 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 0.16 110.264 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.516 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.7 m -63.78 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 1.13 110.256 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.11 -48.94 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.698 -0.683 . . . . 2.23 110.865 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.93 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.579 -0.737 . . . . 0.25 112.219 -175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 90.5 m-85 -89.72 -4.42 57.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 1.15 111.538 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.77 48.93 52.68 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.43 113.427 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 19.0 p90 -134.87 171.91 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.203 0.501 . . . . 1.27 110.728 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.13 153.07 20.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 1.92 109.724 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -79.3 -16.16 56.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.145 0.498 . . . . 2.57 110.172 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -84.17 -15.16 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.686 -0.688 . . . . 2.24 110.223 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.98 -0.39 56.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.48 111.429 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.538 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 26.1 m -50.16 -42.27 19.68 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.41 112.092 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.5 p -61.14 -48.9 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.01 0.434 . . . . 1.25 110.856 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.83 84.8 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.59 112.977 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 32.3 mt -74.1 -46.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.57 110.838 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 75.4 mt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 116.142 -0.481 . . . . 0.65 111.343 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 pttm . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.364 0.126 . . . . 1.14 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -63.97 -47.28 81.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.029 0.442 . . . . 2.11 110.303 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.38 -43.9 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.394 -0.821 . . . . 1.68 110.39 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 12' ' ' ILE . 44.5 mm -63.73 -51.81 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.595 -0.729 . . . . 0.96 110.152 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.54 72.82 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.302 -0.408 . . . . 0.25 111.565 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.21 78.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.33 110.618 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -38.07 89.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.539 -0.541 . . . . 1.56 109.539 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.514 HD13 HG23 ' B' ' 12' ' ' ILE . 66.4 mt -58.76 -57.31 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 0.25 112.067 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.54 -37.76 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.18 110.854 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -63.17 -34.63 78.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.57 110.722 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.421 ' O ' HG12 ' A' ' 19' ' ' ILE . 69.6 t80 -68.53 -46.05 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 1.4 110.749 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -65.08 -34.09 77.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 1.05 110.667 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -61.95 -33.15 73.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 0.9 109.958 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.515 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.3 t -73.73 -43.36 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.84 110.122 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 15' ' ' TYR . 47.3 mm -60.07 -44.74 95.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.255 -0.43 . . . . 0.28 111.37 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.11 -33.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.598 0.237 . . . . 0.34 111.001 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.46 -45.95 85.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.923 0.392 . . . . 2.49 110.85 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.515 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.3 mttm -78.03 -6.78 55.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 1.42 110.817 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 56.99 39.01 29.67 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.072 -0.967 . . . . 1.79 111.486 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 36.9 mt-10 -77.55 -5.66 50.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.83 111.082 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.87 146.28 31.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.858 -0.423 . . . . 0.36 109.858 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -54.63 150.12 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 1.45 111.498 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -51.37 -49.48 61.41 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.51 0.559 . . . . 1.87 112.51 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.72 -41.96 99.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 1.85 110.357 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.81 99.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.31 111.839 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.05 82.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 0.24 111.02 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.09 -38.68 89.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 1.46 110.512 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -64.05 -32.35 73.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.92 110.332 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.1 mt -73.16 -35.91 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.21 110.521 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -58.32 -50.14 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.21 110.712 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.02 -29.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 0.25 110.584 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.475 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.83 -50.44 68.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.444 -0.344 . . . . 0.18 110.531 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.46 -40.68 75.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.21 111.472 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.61 -40.33 96.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 1.68 110.856 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.17 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.26 110.379 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.1 mt -70.89 -48.19 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.16 111.09 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.602 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 12.1 p -61.71 -43.52 98.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.348 . . . . 1.13 111.049 -177.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 2.23 110.768 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.67 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.25 111.603 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -90.55 -2.95 57.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 1.15 111.195 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.31 57.22 7.71 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.686 -0.688 . . . . 0.43 113.005 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 25.3 p90 -144.04 167.19 22.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.84 0.352 . . . . 1.27 110.365 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -99.75 153.05 19.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.14 -0.482 . . . . 1.92 109.738 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -80.13 -18.87 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.981 0.42 . . . . 2.57 110.12 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -85.92 -13.35 48.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.024 -0.535 . . . . 2.23 110.878 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.69 2.42 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.48 110.942 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.1 m -49.84 -46.5 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.71 -0.677 . . . . 0.41 112.81 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.6 t -59.98 -45.6 92.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 1.24 110.831 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.77 83.89 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.962 -0.563 . . . . 0.59 112.828 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.72 -42.36 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.947 0.403 . . . . 0.57 110.299 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 87.2 mt . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 115.869 -0.605 . . . . 0.65 111.647 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 12.5 pttm . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.458 0.17 . . . . 1.14 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -64.04 -47.17 81.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.046 0.45 . . . . 2.11 110.338 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -60.44 -44.01 96.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.345 -0.843 . . . . 1.68 110.373 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.45 ' O ' HG13 ' B' ' 12' ' ' ILE . 44.1 mm -63.6 -51.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 0.96 110.206 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.54 72.55 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.336 -0.393 . . . . 0.24 111.603 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.13 78.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 0.33 110.601 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.06 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.432 -0.581 . . . . 1.56 109.432 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 12' ' ' ILE . 67.0 mt -58.6 -57.38 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.529 -0.759 . . . . 0.24 112.136 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.67 -37.55 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.44 . . . . 0.18 110.824 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -63.31 -34.6 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 0.57 110.742 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.419 ' O ' HG12 ' B' ' 19' ' ' ILE . 69.6 t80 -68.45 -46.11 70.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 1.39 110.718 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.09 -34.08 77.56 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.954 -0.298 . . . . 1.04 110.637 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 29.8 t -61.85 -33.25 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 0.9 109.859 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.514 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 23.0 t -73.86 -43.3 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.899 -0.591 . . . . 0.84 110.184 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 15' ' ' TYR . 47.6 mm -59.91 -44.93 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.28 111.417 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.03 -33.64 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.124 -0.23 . . . . 0.34 111.117 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.38 -46.29 83.97 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 2.49 110.831 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.514 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.1 mttm -77.81 -6.61 54.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.965 0.412 . . . . 1.41 110.752 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.88 39.12 29.7 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.134 -0.939 . . . . 1.79 111.347 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.52 -5.6 50.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 1.84 111.135 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.73 146.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.44 . . . . 0.36 109.945 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.63 149.96 10.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 1.47 111.44 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -51.24 -49.86 60.3 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.537 0.569 . . . . 1.87 112.537 -171.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.31 -42.19 99.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 1.84 110.413 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.84 99.75 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.3 111.803 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.12 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 0.24 111.102 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.06 -38.65 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 1.47 110.495 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -63.96 -32.45 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.87 -0.605 . . . . 0.92 110.375 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.13 -35.83 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.608 0.242 . . . . 0.21 110.478 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -58.37 -50.15 74.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.21 110.779 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.97 -29.94 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 0.26 110.675 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.65 -50.38 69.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.18 110.569 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.54 -40.8 75.72 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.149 -0.478 . . . . 0.21 111.467 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.61 -40.29 96.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 1.68 110.762 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -35.38 80.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.42 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 36' ' ' ALA . 82.3 mt -70.96 -47.98 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.16 111.068 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.607 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 11.0 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.496 -0.32 . . . . 1.13 111.131 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.9 -31.57 70.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 2.23 110.748 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.54 -51.75 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.688 0.28 . . . . 0.25 111.664 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -90.63 -2.65 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 1.15 111.288 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.03 57.37 7.78 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.536 -0.756 . . . . 0.43 113.029 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.607 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 25.2 p90 -144.43 166.48 25.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.89 0.345 . . . . 1.27 110.374 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -99.16 153.1 19.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 1.92 109.81 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -80.19 -18.65 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.005 0.431 . . . . 2.57 110.14 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -86.5 -12.61 48.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 2.24 110.874 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.1 2.38 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 0.48 111.042 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.0 m -49.85 -46.19 22.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 112.879 0.696 . . . . 0.41 112.879 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.4 t -60.4 -45.53 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 1.25 110.69 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.96 83.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.59 112.765 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 25.1 mt -74.56 -42.34 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.983 0.42 . . . . 0.57 110.291 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.8 mt . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 115.874 -0.603 . . . . 0.65 111.716 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.833 0.349 . . . . 7.31 110.661 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 31.3 m -88.81 162.44 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.29 -0.414 . . . . 5.19 110.433 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -145.05 61.16 1.31 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.846 -0.798 . . . . 5.73 108.846 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' B' ' 68' ' ' ILE . 8.5 t -100.08 25.64 7.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.161 -0.927 . . . . 2.89 109.787 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.92 -171.56 0.12 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.005 -0.998 . . . . 1.46 109.409 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.4 p -104.17 143.1 33.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.338 -0.616 . . . . 1.49 109.338 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.609 ' HE3' ' O ' ' B' ' 24' ' ' GLU . 14.6 pttm -51.84 -29.48 19.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.871 -1.059 . . . . 1.14 112.195 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -61.13 -56.99 14.46 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.014 0.435 . . . . 2.11 110.978 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -57.73 -44.39 85.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.526 -0.761 . . . . 1.68 110.903 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' HG13 ' A' ' 12' ' ' ILE . 39.0 mm -64.03 -47.82 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 0.96 110.765 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.33 -41.63 72.69 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 111.763 0.283 . . . . 0.25 111.763 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.92 92.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.058 0.456 . . . . 0.33 110.769 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.52 -41.27 98.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.849 -0.614 . . . . 1.56 109.38 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.518 HD13 HG23 ' B' ' 12' ' ' ILE . 74.8 mt -59.8 -56.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.136 -0.938 . . . . 0.25 112.19 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.31 -37.39 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.725 -0.39 . . . . 0.18 111.173 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.81 -33.25 74.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.894 0.378 . . . . 0.57 110.451 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.447 ' O ' HG12 ' A' ' 19' ' ' ILE . 79.4 t80 -65.25 -50.02 67.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 1.4 110.514 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' HB2' ' SD ' ' A' ' 37' ' ' MET . 28.8 m-85 -65.2 -33.78 76.81 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.992 -0.283 . . . . 1.05 110.729 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -62.94 -31.89 73.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.9 110.033 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.482 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 16.9 t -76.56 -38.59 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 0.84 110.21 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 15' ' ' TYR . 46.2 mm -62.08 -43.96 98.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.256 -0.429 . . . . 0.28 111.01 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -75.89 -28.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.678 0.275 . . . . 0.34 110.495 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.68 -54.57 45.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.416 0.627 . . . . 2.49 110.339 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 48.3 mttm -82.1 -3.51 54.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.277 -0.874 . . . . 1.42 110.782 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 56.94 41.67 27.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.964 -1.016 . . . . 1.79 111.458 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.613 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 30.9 mt-10 -75.71 -3.99 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 1.83 111.003 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.8 150.91 35.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 0.36 110.049 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -56.57 150.63 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.45 110.464 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.42 -27.71 69.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.97 -0.559 . . . . 1.87 111.643 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.71 -46.08 69.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.202 0.525 . . . . 1.85 109.635 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.64 -37.59 93.73 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.499 -0.773 . . . . 0.31 111.562 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.8 79.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.544 0.212 . . . . 0.24 111.232 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.38 -45.75 90.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.46 110.472 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 m -61.63 -34.14 75.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.92 110.842 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.92 -40.47 72.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 0.21 110.829 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -59.83 -48.54 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.21 111.132 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.0 m -70.54 -29.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.857 -0.337 . . . . 0.25 110.513 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.19 -52.72 61.18 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.469 -0.332 . . . . 0.18 110.26 175.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.43 ' SD ' ' HB2' ' A' ' 16' ' ' PHE . 73.8 mtm -58.28 -36.83 73.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.21 110.801 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.21 -44.32 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.899 -0.592 . . . . 1.68 110.778 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.1 m -69.42 -34.59 74.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 0.26 110.934 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 36' ' ' ALA . 92.6 mt -64.59 -49.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.127 0.489 . . . . 0.16 109.993 176.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.596 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 17.8 m -64.04 -34.62 78.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.492 -0.776 . . . . 1.13 110.379 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.42 -42.71 99.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.705 . . . . 2.23 110.947 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.73 65.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 0.25 112.159 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.04 -7.74 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.156 0.503 . . . . 1.15 111.852 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.25 57.29 6.94 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.691 -0.686 . . . . 0.43 113.2 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 24.1 p90 -142.07 169.83 16.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.051 0.425 . . . . 1.27 110.532 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.5 152.77 19.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.045 -0.525 . . . . 1.92 109.631 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.06 -16.98 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 2.57 109.897 -172.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -93.44 -4.78 50.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 2.23 110.734 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.27 -0.96 57.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.053 -0.521 . . . . 0.48 110.617 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.82 -36.94 11.9 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 CA-C-N 115.345 -0.843 . . . . 0.41 112.542 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 p -55.47 -56.5 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 1.24 111.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.14 -41.76 61.27 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.698 -0.683 . . . . 0.59 113.45 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' A' ' 57' ' ' LYS . 53.4 mt -75.67 -43.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 0.57 111.297 -177.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.66 -41.81 92.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.425 -0.352 . . . . 0.65 111.042 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.39 -15.81 53.03 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.845 -0.693 . . . . 0.91 112.706 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 54' ' ' ILE . 38.4 ttmt -80.36 -20.05 45.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.84 0.353 . . . . 2.22 110.225 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -127.15 111.52 14.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.849 0.357 . . . . 1.94 111.282 -174.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.76 -21.94 29.82 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.899 -0.321 . . . . 5.07 111.124 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 67.18 170.86 0.26 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.846 0.716 . . . . 2.78 110.578 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' NZ ' ' HA ' ' B' ' 67' ' ' ASP . 24.0 pttm -119.31 -8.55 10.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.017 0.437 . . . . 6.17 110.679 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.01 -47.76 0.12 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.986 -0.626 . . . . 3.3 111.61 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.457 ' HG2' ' HG2' ' B' ' 63' ' ' GLN . 56.7 mt-30 -64.13 -94.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 4.2 110.798 178.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 69.41 -85.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.84 -0.618 . . . . 7.06 111.249 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.3 mt -145.27 167.26 23.27 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.172 0.189 . . . . 6.82 110.525 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 78.18 -51.14 0.49 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.692 0.797 . . . . 3.2 112.258 173.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.506 ' HA ' ' NZ ' ' B' ' 61' ' ' LYS . 17.7 t0 -76.6 -24.77 53.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.459 0.647 . . . . 5.67 109.437 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.445 ' HA ' ' OG ' ' B' ' 2' ' ' SER . 12.9 pt -138.78 117.48 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.98 -1.009 . . . . 3.35 109.117 172.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 mp -91.06 -4.75 56.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.878 0.37 . . . . 3.56 111.14 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.428 ' ND2' ' HD1' ' A' ' 15' ' ' TYR . 5.2 p30 -92.25 18.79 7.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.268 -0.423 . . . . 2.26 110.817 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.0 m -75.32 -34.78 61.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.118 0.485 . . . . 3.22 110.199 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.706 -0.679 . . . . 4.3 110.286 179.705 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.865 0.364 . . . . 7.31 110.565 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 31.6 m -88.45 162.9 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.352 -0.386 . . . . 5.19 110.421 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -145.29 60.99 1.29 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.802 0.811 . . . . 5.72 109.03 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 68' ' ' ILE . 8.5 t -100.21 25.94 7.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.074 -0.966 . . . . 2.88 109.748 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.87 -171.2 0.12 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.983 -1.008 . . . . 1.46 109.387 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 84.3 p -104.37 142.95 33.67 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.325 -0.62 . . . . 1.49 109.325 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.613 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 14.6 pttm -51.69 -29.38 17.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.829 -1.078 . . . . 1.14 112.176 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.33 -56.92 15.01 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.968 0.413 . . . . 2.11 110.994 173.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -57.9 -44.25 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.538 -0.755 . . . . 1.68 110.78 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 12' ' ' ILE . 38.9 mm -64.06 -47.85 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.601 -0.727 . . . . 0.96 110.767 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.41 -41.43 72.72 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 111.746 0.276 . . . . 0.24 111.746 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.79 93.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.136 0.493 . . . . 0.33 110.758 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.649 . . . . 1.56 109.376 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.518 HG23 HD13 ' A' ' 12' ' ' ILE . 74.5 mt -59.91 -56.21 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.156 -0.929 . . . . 0.24 112.14 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.22 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.831 -0.348 . . . . 0.18 111.137 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.91 -33.16 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.57 110.481 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.441 ' O ' HG12 ' B' ' 19' ' ' ILE . 79.3 t80 -65.36 -49.91 67.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 1.39 110.541 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.427 ' HB2' ' SD ' ' B' ' 37' ' ' MET . 28.9 m-85 -65.22 -33.81 76.88 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.957 -0.297 . . . . 1.04 110.731 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -62.92 -31.63 72.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 0.9 110.063 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.479 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 15.0 t -76.98 -38.48 53.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 0.84 110.112 177.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 15' ' ' TYR . 46.0 mm -61.99 -44.12 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.28 110.936 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.83 -28.57 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.511 -0.313 . . . . 0.34 110.487 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.67 -54.49 46.46 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.278 0.561 . . . . 2.49 110.356 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.479 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 48.6 mttm -82.39 -3.3 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.434 -0.803 . . . . 1.41 110.68 -176.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 57.05 41.71 27.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.96 -1.018 . . . . 1.79 111.409 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.609 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 30.7 mt-10 -75.81 -3.82 37.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 1.84 110.985 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.94 150.88 35.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.987 -0.375 . . . . 0.36 109.987 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -56.6 150.49 15.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.47 110.455 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.31 -27.8 69.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.96 -0.564 . . . . 1.87 111.644 -174.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.89 -45.79 70.03 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.682 -0.488 . . . . 1.84 109.682 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.46 93.56 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.3 111.615 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.59 -42.91 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.517 0.198 . . . . 0.24 111.123 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.31 -45.74 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 1.47 110.555 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -34.37 75.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 0.92 110.833 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.99 -40.41 71.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.737 0.303 . . . . 0.21 110.789 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -59.83 -48.61 80.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.21 111.087 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 m -70.45 -29.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 0.26 110.539 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.457 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.43 -52.62 60.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.463 -0.335 . . . . 0.18 110.169 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' B' ' 16' ' ' PHE . 73.9 mtm -58.37 -36.77 73.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.21 110.811 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.44 -43.99 97.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.953 -0.567 . . . . 1.68 110.772 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.0 m -69.65 -34.47 74.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.232 -0.44 . . . . 0.27 110.894 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 36' ' ' ALA . 93.3 mt -64.68 -49.08 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.165 0.507 . . . . 0.16 109.939 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.599 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -64.08 -34.75 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.559 -0.746 . . . . 1.13 110.444 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.42 -42.38 99.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.23 110.847 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -51.45 65.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.877 -0.601 . . . . 0.25 112.036 -176.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -91.26 -7.78 50.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 1.15 111.694 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.08 57.47 6.92 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.43 113.228 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 24.0 p90 -142.12 169.95 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.914 0.357 . . . . 1.27 110.448 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.44 152.91 19.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.955 -0.566 . . . . 1.92 109.557 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.04 -17.43 55.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.218 0.532 . . . . 2.57 109.978 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -93.22 -4.77 51.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.633 -0.712 . . . . 2.24 110.609 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 -0.85 57.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.036 0.446 . . . . 0.48 110.527 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.93 -36.93 12.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 115.409 -0.814 . . . . 0.41 112.628 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.298 . . . . 1.25 111.218 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.03 -41.79 60.25 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.692 -0.685 . . . . 0.59 113.288 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' B' ' 57' ' ' LYS . 53.5 mt -75.6 -43.31 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.003 0.43 . . . . 0.57 111.287 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.72 -41.97 91.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.45 -0.341 . . . . 0.65 110.915 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.17 -15.69 51.37 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.896 -0.668 . . . . 0.91 112.749 173.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.5 ' HB3' ' O ' ' B' ' 54' ' ' ILE . 38.4 ttmt -80.76 -20.27 43.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.934 0.397 . . . . 2.21 110.231 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -126.92 111.61 14.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.397 -0.365 . . . . 1.94 111.198 -174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -84.87 -21.71 29.65 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.943 -0.303 . . . . 5.06 111.131 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.409 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 75.9 m-85 66.84 170.29 0.25 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.6 0.562 . . . . 2.78 110.611 -176.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.506 ' NZ ' ' HA ' ' A' ' 67' ' ' ASP . 24.0 pttm -118.88 -8.56 10.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.002 0.429 . . . . 6.16 110.776 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -130.93 -47.68 0.13 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.518 -0.633 . . . . 3.3 111.518 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.457 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 56.7 mt-30 -64.21 -94.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 4.2 110.83 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 69.36 -85.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.764 -0.653 . . . . 7.07 111.181 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 93.3 mt -144.97 167.24 23.12 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.51 -0.182 . . . . 6.83 110.51 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 77.77 -51.0 0.52 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.041 0.838 . . . . 3.2 112.371 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.497 ' HA ' ' NZ ' ' A' ' 61' ' ' LYS . 18.6 t0 -76.34 -24.87 54.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.478 0.656 . . . . 5.67 109.521 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.428 ' HA ' ' OG ' ' A' ' 2' ' ' SER . 12.8 pt -138.85 117.54 13.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.922 -1.035 . . . . 3.35 109.222 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 mp -91.13 -4.36 56.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.982 0.42 . . . . 3.55 111.164 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.431 ' ND2' ' HD1' ' B' ' 15' ' ' TYR . 5.3 p30 -92.53 18.85 7.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.161 -0.472 . . . . 2.27 110.865 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.2 m -75.38 -35.28 61.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.244 0.545 . . . . 3.23 110.169 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-N 115.624 -0.716 . . . . 4.3 110.042 179.278 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.532 0.206 . . . . 7.31 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 2' ' ' SER . 16.8 m -72.54 165.03 3.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.852 -0.158 . . . . 5.19 110.657 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.588 ' OD1' ' HG2' ' A' ' 61' ' ' LYS . 1.5 t70 80.12 -25.3 0.18 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.596 0.758 . . . . 5.73 110.382 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.447 ' H ' ' C ' ' A' ' 0' ' ' VAL . 10.6 t -53.14 -25.74 14.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.598 -1.183 . . . . 2.89 112.5 177.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.62 -161.27 0.09 Allowed 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.867 0.467 . . . . 1.46 110.853 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 8' ' ' ILE . 4.2 m -100.36 152.66 20.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.745 0.307 . . . . 1.49 110.282 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -63.14 -25.88 68.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.539 . . . . 1.14 111.248 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.42 -48.53 80.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.279 0.561 . . . . 2.11 110.02 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 1.68 110.569 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 4' ' ' SER . 32.8 mm -63.37 -50.07 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.96 110.274 177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.75 72.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.25 111.531 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.09 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.101 0.477 . . . . 0.33 110.542 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.66 -42.12 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.601 -0.727 . . . . 1.56 109.657 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.17 -55.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.019 -0.991 . . . . 0.25 112.303 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.78 -35.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.673 -0.411 . . . . 0.18 111.087 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -61.4 -31.51 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.57 110.456 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.539 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . 72.1 t80 -68.55 -47.68 66.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 1.4 110.726 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -65.9 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.796 -0.362 . . . . 1.05 110.696 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -60.78 -34.62 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.128 0.49 . . . . 0.9 109.982 174.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.538 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.8 t -72.54 -45.75 57.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.84 110.34 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -59.16 -44.8 92.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.408 -0.36 . . . . 0.28 111.431 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.57 -33.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.583 -0.28 . . . . 0.34 110.98 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.79 -48.52 78.77 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.962 0.41 . . . . 2.49 110.409 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.9 mttm -76.13 -6.12 49.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 1.42 110.808 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.13 41.83 31.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.964 -1.017 . . . . 1.79 111.571 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.6 -4.87 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.701 -0.682 . . . . 1.83 111.258 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.138 -0.319 . . . . 0.36 110.138 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -58.28 155.68 11.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.644 -0.707 . . . . 1.45 111.725 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.3 -42.85 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.729 0.3 . . . . 1.87 111.704 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.21 -42.77 96.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 1.85 110.084 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -43.43 91.37 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.737 -0.744 . . . . 0.31 111.858 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.42 75.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.668 0.27 . . . . 0.24 111.592 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.11 -39.84 83.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 1.46 110.744 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 m -65.07 -30.69 71.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 0.92 111.07 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.11 -35.49 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 0.21 110.472 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -61.75 -52.07 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.21 110.796 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.2 -31.51 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.972 -0.291 . . . . 0.25 110.447 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.34 -52.14 64.83 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.317 -0.402 . . . . 0.18 110.275 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mtm -56.33 -43.64 79.22 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.388 -0.369 . . . . 0.21 111.898 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.763 -0.199 . . . . 1.68 111.525 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -67.13 -39.96 86.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.26 110.62 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 36' ' ' ALA . 74.2 mt -65.88 -44.8 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.395 0.617 . . . . 0.16 109.965 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 29.7 t -55.4 -53.15 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.979 -1.01 . . . . 1.13 110.802 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.11 -38.53 86.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 2.23 111.099 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.92 52.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.433 . . . . 0.25 111.927 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.425 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 96.6 m-85 -89.4 -8.52 52.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.131 0.419 . . . . 1.15 112.131 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.83 48.78 32.31 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.43 113.048 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 14.7 p90 -137.53 160.75 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.852 -0.425 . . . . 1.27 109.852 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.7 153.99 19.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.261 -0.274 . . . . 1.92 110.261 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.2 -24.23 40.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 2.57 110.032 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.42 -14.67 39.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 2.23 110.745 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.98 0.9 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.48 111.037 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 18.3 m -50.54 -43.88 24.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.41 112.497 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 p -59.75 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 1.24 110.964 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.59 94.22 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.88 -0.6 . . . . 0.59 112.52 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 63.2 mt -69.24 -49.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.843 0.354 . . . . 0.57 110.719 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 85.9 mt -56.89 -31.68 65.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.65 111.509 178.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.71 -20.13 30.89 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.085 -0.578 . . . . 0.91 113.633 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HE2' ' HA ' ' A' ' 54' ' ' ILE . 48.7 mtmt -89.55 0.42 56.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.041 0.421 . . . . 2.22 111.224 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.8 p -54.06 126.95 24.6 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.43 0.634 . . . . 1.94 112.559 -173.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.0 -15.23 48.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.457 -0.792 . . . . 5.07 110.473 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.542 ' HA ' ' OD2' ' A' ' 1' ' ' ASP . 84.5 m-85 -51.91 111.61 0.64 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.97 -0.559 . . . . 2.78 112.023 -176.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.588 ' HG2' ' OD1' ' A' ' 1' ' ' ASP . 22.5 pttm -101.51 2.13 38.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.122 -0.49 . . . . 6.17 110.309 176.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.17 -19.36 60.99 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.848 -0.692 . . . . 3.3 111.525 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -66.34 130.67 44.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.614 -0.293 . . . . 4.2 110.43 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -165.74 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 7.06 110.723 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.62 165.04 20.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.025 0.44 . . . . 6.82 110.771 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.94 36.37 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.495 0.664 . . . . 3.2 109.967 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -82.74 -50.22 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.014 -0.994 . . . . 5.67 110.565 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.1 mt -78.16 87.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.312 0.577 . . . . 3.35 110.332 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.16 -22.36 62.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 3.56 110.897 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.539 ' ND2' ' HB2' ' A' ' 15' ' ' TYR . 12.0 p-10 -91.93 20.73 5.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.476 -0.784 . . . . 2.26 111.636 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 m -64.71 -23.92 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.038 0.447 . . . . 3.22 110.45 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.695 -0.669 . . . . 4.3 109.707 177.495 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.474 0.178 . . . . 7.31 111.06 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' VAL . . . . . 0.456 ' C ' ' H ' ' B' ' 2' ' ' SER . 17.5 m -72.69 165.16 3.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.836 -0.166 . . . . 5.19 110.625 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.583 ' OD1' ' HG2' ' B' ' 61' ' ' LYS . 1.4 t70 79.94 -24.98 0.19 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.487 0.715 . . . . 5.72 110.353 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.456 ' H ' ' C ' ' B' ' 0' ' ' VAL . 10.8 t -53.33 -25.84 16.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.664 -1.153 . . . . 2.88 112.465 177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.65 -161.77 0.09 Allowed 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 122.955 0.502 . . . . 1.46 110.707 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.496 ' O ' HG12 ' B' ' 8' ' ' ILE . 3.9 m -99.99 152.3 20.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 1.49 110.281 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -62.81 -26.04 68.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 1.14 111.346 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.21 -48.65 80.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.313 0.578 . . . . 2.11 109.962 172.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.09 -40.05 94.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.253 -0.885 . . . . 1.68 110.626 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.496 HG12 ' O ' ' B' ' 4' ' ' SER . 32.9 mm -63.26 -50.05 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 0.96 110.252 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.73 72.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.24 111.511 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.05 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.186 0.517 . . . . 0.33 110.521 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.61 -42.15 87.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 1.56 109.598 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.29 -55.57 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.98 -1.009 . . . . 0.24 112.266 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.68 -35.52 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.684 -0.407 . . . . 0.18 111.077 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -61.31 -31.72 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.57 110.436 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.536 ' HB2' ' ND2' ' B' ' 70' ' ' ASN . 71.9 t80 -68.37 -47.61 66.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.351 -0.386 . . . . 1.39 110.744 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -65.86 -34.73 78.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.836 -0.346 . . . . 1.04 110.809 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.129 0.49 . . . . 0.9 109.978 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.528 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 22.6 t -72.87 -45.44 58.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 0.84 110.36 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.51 -44.77 93.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.28 111.371 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.43 -33.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.068 -0.253 . . . . 0.34 110.856 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.46 -48.66 78.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 2.49 110.502 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.528 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.8 mttm -76.02 -6.12 49.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 1.41 110.745 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.09 42.3 31.65 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 114.849 -1.069 . . . . 1.79 111.457 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.84 -5.2 52.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 1.84 111.299 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.82 147.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.149 -0.315 . . . . 0.36 110.149 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -58.32 155.83 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.655 -0.702 . . . . 1.47 111.736 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.4 -42.84 70.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.766 0.317 . . . . 1.87 111.559 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.02 -43.14 96.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 1.84 110.08 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.6 91.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.873 -0.679 . . . . 0.3 111.886 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.56 -48.28 75.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.388 0.275 . . . . 0.24 111.616 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.26 -39.88 84.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.858 0.361 . . . . 1.47 110.694 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.8 m -64.84 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 0.92 110.957 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.18 -35.15 61.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.21 110.491 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -62.03 -52.07 65.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 0.21 110.869 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.21 -31.41 53.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 0.26 110.545 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.449 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.44 -52.03 65.16 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.319 -0.401 . . . . 0.18 110.317 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.41 -43.47 79.38 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.378 -0.374 . . . . 0.21 111.774 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.2 -37.72 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.52 0.192 . . . . 1.68 111.52 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 72.7 m -66.76 -40.03 88.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.855 0.36 . . . . 0.27 110.671 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.449 HG13 ' O ' ' B' ' 36' ' ' ALA . 74.1 mt -65.83 -44.8 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.404 0.621 . . . . 0.16 110.018 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 29.3 t -55.56 -53.35 57.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.972 -1.013 . . . . 1.13 110.643 177.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.78 -38.62 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 2.23 111.112 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.94 -53.78 53.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.25 111.822 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 96.5 m-85 -89.44 -8.74 52.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.222 0.453 . . . . 1.15 112.222 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.35 48.29 31.48 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 116.052 -0.522 . . . . 0.43 113.224 176.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 14.8 p90 -137.36 160.59 38.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 1.27 109.918 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -90.64 153.83 20.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.756 0.313 . . . . 1.92 110.176 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -80.06 -24.07 40.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 2.57 110.026 -173.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -87.55 -14.76 39.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 2.24 110.762 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.65 0.63 46.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 0.48 111.031 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 18.1 m -50.44 -43.89 23.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.476 -0.784 . . . . 0.41 112.503 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -59.73 -48.35 82.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 1.25 111.012 -178.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.82 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.728 -0.669 . . . . 0.59 112.533 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.408 ' HA ' ' HE2' ' B' ' 57' ' ' LYS . 63.3 mt -69.14 -49.58 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.838 0.352 . . . . 0.57 110.613 -179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.1 mt -56.86 -31.79 65.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 0.65 111.496 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.4 -20.65 30.73 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 120.921 -0.657 . . . . 0.91 113.626 173.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' B' ' 54' ' ' ILE . 48.7 mtmt -89.43 0.95 56.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.104 0.452 . . . . 2.21 111.292 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 18.8 p -54.37 127.04 25.66 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.331 0.586 . . . . 1.94 112.493 -173.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -84.26 -15.05 48.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.425 -0.807 . . . . 5.06 110.425 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.536 ' HA ' ' OD2' ' B' ' 1' ' ' ASP . 84.3 m-85 -51.63 111.82 0.66 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.001 -0.545 . . . . 2.78 112.002 -176.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.583 ' HG2' ' OD1' ' B' ' 1' ' ' ASP . 22.5 pttm -101.36 1.57 38.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.436 . . . . 6.16 110.415 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.84 -19.23 61.84 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.83 -0.7 . . . . 3.3 111.605 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -66.61 130.49 43.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.532 -0.334 . . . . 4.2 110.448 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -165.56 -30.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.339 -0.392 . . . . 7.07 110.752 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.51 164.99 20.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.207 -0.451 . . . . 6.83 110.713 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.94 36.74 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.482 0.658 . . . . 3.2 109.87 175.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -82.94 -50.23 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.868 -1.06 . . . . 5.67 110.581 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.0 mt -78.15 87.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.237 0.541 . . . . 3.35 110.379 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.13 -21.99 62.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.823 -0.626 . . . . 3.55 110.91 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.536 ' ND2' ' HB2' ' B' ' 15' ' ' TYR . 11.8 p-10 -92.27 20.85 5.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.342 -0.844 . . . . 2.27 111.558 -176.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 65.1 m -64.85 -23.55 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.037 0.446 . . . . 3.23 110.662 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.683 -0.675 . . . . 4.3 109.983 177.453 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 110.122 -0.325 . . . . 7.31 110.122 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.44 154.12 32.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.02 0.438 . . . . 5.19 110.16 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -155.53 -34.03 0.09 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.716 -0.675 . . . . 5.73 110.255 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t -43.13 -55.21 4.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.861 -1.063 . . . . 2.89 110.778 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.71 167.33 29.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 1.46 110.073 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 t -98.73 148.05 24.26 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.447 0.641 . . . . 1.49 109.825 176.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 10.7 ptpp? -67.35 -22.4 65.59 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.882 -1.054 . . . . 1.14 110.175 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.44 -41.03 85.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.591 -0.731 . . . . 2.11 110.533 175.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.99 -41.53 82.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.026 -0.534 . . . . 1.68 110.746 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.77 -43.0 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.184 -0.462 . . . . 0.96 110.417 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.53 67.86 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.475 -0.33 . . . . 0.25 110.908 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.23 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.33 110.612 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.59 -40.22 82.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.208 0.528 . . . . 1.56 110.809 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.18 -53.14 49.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.245 -0.889 . . . . 0.25 111.96 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.42 -30.94 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.586 -0.446 . . . . 0.18 110.548 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.42 -40.37 86.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.206 0.527 . . . . 0.57 110.129 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.442 ' OH ' ' HA ' ' B' ' 5' ' ' LYS . 48.7 t80 -61.17 -55.23 34.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.514 -0.766 . . . . 1.4 110.878 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.82 -34.6 78.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.394 -0.367 . . . . 1.05 111.013 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.9 m -61.59 -42.13 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 0.9 110.334 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -66.88 -42.13 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.84 110.326 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 24' ' ' GLU . 37.2 mm -60.84 -47.6 92.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.059 -0.519 . . . . 0.28 111.42 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.77 -32.42 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 121.102 -0.239 . . . . 0.34 111.407 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.38 -44.42 97.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.02 0.438 . . . . 2.49 110.778 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 88.7 mttt -83.59 -6.35 59.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 1.42 110.438 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt 55.43 42.61 29.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.927 -1.033 . . . . 1.79 111.286 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' A' ' 22' ' ' LYS . 13.5 mm-40 -70.94 -9.42 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 1.83 110.714 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.7 tt -124.99 149.89 29.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.282 -0.636 . . . . 0.36 109.282 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -60.71 162.19 6.95 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.194 0.309 . . . . 1.45 111.76 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -49.77 -54.22 20.38 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.76 -0.655 . . . . 1.87 112.397 -172.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.58 -43.18 99.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.85 110.997 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.05 98.15 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.933 -0.651 . . . . 0.31 111.982 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.04 75.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 0.24 111.393 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.22 -38.48 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 1.46 110.681 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -65.55 -30.87 71.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 0.92 110.253 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.42 -36.55 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.21 110.499 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -59.18 -50.53 73.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.21 110.904 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -31.95 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.52 -0.309 . . . . 0.25 110.431 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.16 -48.31 78.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.18 110.562 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.17 -43.64 82.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.21 111.889 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.32 -29.88 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.853 -0.339 . . . . 1.68 110.761 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.34 -38.23 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 0.26 109.977 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 36' ' ' ALA . 80.0 mt -63.64 -40.18 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.16 109.368 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -64.53 -41.79 96.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.155 -0.929 . . . . 1.13 110.259 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.18 -21.96 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.913 -0.585 . . . . 2.23 110.957 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.59 23.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.25 111.895 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.431 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 86.3 m-85 -106.62 -12.77 15.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.807 0.669 . . . . 1.15 112.807 -173.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.44 57.03 5.76 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.222 -0.513 . . . . 0.43 112.777 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 6.3 p90 -147.28 164.58 32.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.757 0.278 . . . . 1.27 110.505 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.69 157.93 16.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.288 -0.414 . . . . 1.92 110.022 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -79.82 -13.08 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 2.57 110.272 -176.432 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.32 -20.76 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 2.23 110.531 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.82 -3.84 49.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.48 111.027 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.4 m -47.04 -48.14 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 115.525 -0.761 . . . . 0.41 112.692 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 p -60.47 -44.74 95.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 1.24 111.217 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.76 -42.64 91.67 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.59 112.537 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.44 -49.79 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.071 0.462 . . . . 0.57 110.703 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 81.7 mt -55.76 -44.22 77.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.565 -0.743 . . . . 0.65 111.896 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.52 -7.99 8.71 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.147 -0.549 . . . . 0.91 114.041 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -83.76 -17.01 42.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.405 -0.468 . . . . 2.22 110.829 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -142.22 135.53 28.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 1.94 111.006 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -16.61 46.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.281 -0.418 . . . . 5.07 110.463 177.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 71.99 -34.59 0.3 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.679 0.791 . . . . 2.78 111.561 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? 61.42 93.0 0.05 OUTLIER 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.714 0.769 . . . . 6.17 111.756 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.11 -32.91 2.14 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.034 -0.985 . . . . 3.3 110.806 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.457 ' NE2' ' H ' ' A' ' 72' ' ' ALA . 13.6 pt20 -92.91 149.16 21.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.207 -0.497 . . . . 4.2 110.689 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 179.53 -63.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.19 -0.914 . . . . 7.06 108.668 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.47 121.94 9.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.694 -0.684 . . . . 6.82 109.489 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.83 -160.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.005 -0.543 . . . . 3.2 109.812 -175.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -34.93 73.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.133 0.492 . . . . 5.67 110.276 173.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.43 96.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 3.35 110.767 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.37 -27.83 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.554 . . . . 3.56 110.616 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.419 ' HB3' ' HB2' ' A' ' 15' ' ' TYR . 4.3 p-10 -81.35 19.76 0.94 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.855 -0.611 . . . . 2.26 111.524 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.5 t -63.23 136.34 57.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.154 -0.475 . . . . 3.22 110.634 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' H ' ' NE2' ' A' ' 63' ' ' GLN . . . . . . . . 0 C--O 1.254 1.294 0 CA-C-O 118.824 -0.607 . . . . 4.3 110.264 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.075 -0.343 . . . . 7.31 110.075 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.71 153.92 31.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.043 0.449 . . . . 5.19 110.109 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -155.41 -34.17 0.09 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.66 -0.7 . . . . 5.72 110.187 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -43.2 -54.66 4.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.913 -1.04 . . . . 2.88 110.867 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.27 166.97 30.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.385 -0.37 . . . . 1.46 110.069 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.1 t -98.68 148.1 24.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.572 0.701 . . . . 1.49 109.726 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.442 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 10.7 ptpp? -67.4 -22.26 65.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.758 -1.11 . . . . 1.14 110.146 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.47 -40.92 85.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.627 -0.715 . . . . 2.11 110.505 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.36 -41.3 80.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 1.68 110.687 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 64.5 mt -68.87 -42.92 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.195 -0.457 . . . . 0.96 110.426 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.59 67.88 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.527 -0.306 . . . . 0.24 110.886 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.27 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.33 110.687 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.56 -40.3 82.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.166 0.507 . . . . 1.56 110.764 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.21 -53.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.26 -0.882 . . . . 0.24 112.008 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.46 -30.74 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.651 -0.419 . . . . 0.18 110.632 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -59.57 -40.39 87.19 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.187 0.518 . . . . 0.57 110.018 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.435 ' OH ' ' HA ' ' A' ' 5' ' ' LYS . 48.5 t80 -61.22 -55.22 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.424 -0.807 . . . . 1.39 110.836 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -63.71 -34.75 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 1.04 111.035 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 66.5 m -61.72 -41.66 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 0.9 110.334 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -67.31 -42.08 84.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.84 110.299 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' B' ' 24' ' ' GLU . 36.9 mm -60.89 -47.44 93.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.132 -0.485 . . . . 0.28 111.425 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.72 -32.56 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.218 -0.193 . . . . 0.34 111.374 -177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.5 -44.12 97.65 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.073 0.463 . . . . 2.49 110.737 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.514 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 88.6 mttt -83.76 -6.52 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.309 0.576 . . . . 1.41 110.542 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt 55.65 42.59 29.29 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 114.781 -1.1 . . . . 1.79 111.282 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' B' ' 22' ' ' LYS . 13.1 mm-40 -71.06 -9.46 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.691 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.67 150.18 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.337 -0.616 . . . . 0.36 109.337 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.8 t -60.92 162.12 7.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.733 0.301 . . . . 1.47 111.675 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -49.56 -54.62 17.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.628 -0.714 . . . . 1.87 112.332 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.28 -43.64 98.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 1.84 110.793 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.01 98.38 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.733 -0.667 . . . . 0.3 112.097 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.14 76.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.704 0.288 . . . . 0.24 111.267 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.97 -38.65 91.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.871 0.367 . . . . 1.47 110.614 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.8 t -65.18 -31.01 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.969 -0.559 . . . . 0.92 110.379 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.45 -36.59 63.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 0.21 110.488 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.17 -50.5 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.21 110.972 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.31 -31.92 53.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.754 0.311 . . . . 0.26 110.584 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.22 -48.25 79.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.226 -0.443 . . . . 0.18 110.546 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.11 -43.72 82.55 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.21 111.885 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.61 -29.6 68.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 1.68 110.624 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.34 -38.47 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.213 0.53 . . . . 0.27 109.956 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 36' ' ' ALA . 78.9 mt -63.59 -40.18 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.438 0.637 . . . . 0.16 109.361 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.9 m -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 1.13 110.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.92 -22.4 66.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.943 -0.571 . . . . 2.23 110.977 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.25 -41.69 24.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.25 111.805 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.425 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 86.0 m-85 -106.77 -12.52 15.5 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.757 0.651 . . . . 1.15 112.757 -173.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.43 56.72 5.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.257 -0.496 . . . . 0.43 112.838 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 6.3 p90 -147.19 164.37 33.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.888 0.344 . . . . 1.27 110.441 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -101.46 157.86 16.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 1.92 110.001 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -79.79 -12.72 59.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.068 0.461 . . . . 2.57 110.409 -176.538 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -92.7 -20.5 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 2.24 110.501 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.0 -3.73 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.48 110.97 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.656 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.3 m -47.11 -48.04 8.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.568 -0.742 . . . . 0.41 112.704 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -60.73 -44.81 96.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.673 0.273 . . . . 1.25 111.261 -175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -42.34 90.97 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.987 -0.551 . . . . 0.59 112.594 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -72.75 -49.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.982 0.42 . . . . 0.57 110.685 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 81.9 mt -55.63 -44.19 76.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.662 -0.699 . . . . 0.65 111.938 -178.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.61 -7.88 8.7 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 121.115 -0.564 . . . . 0.91 114.065 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -83.84 -16.8 43.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.072 0.436 . . . . 2.21 110.915 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -142.31 135.74 29.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.044 0.45 . . . . 1.94 110.963 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.18 -16.83 45.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 5.06 110.43 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 72.13 -34.28 0.29 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.582 0.753 . . . . 2.78 111.674 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? 61.02 92.95 0.05 OUTLIER 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.459 0.647 . . . . 6.16 111.737 173.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.13 -32.46 2.18 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.718 -0.953 . . . . 3.3 110.718 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.456 ' NE2' ' H ' ' B' ' 72' ' ' ALA . 13.6 pt20 -93.46 149.3 21.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.218 -0.491 . . . . 4.2 110.661 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 179.32 -62.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.291 -0.868 . . . . 7.07 108.777 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 60.9 tp -148.05 121.8 9.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.52 -0.764 . . . . 6.83 109.4 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.77 -160.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.907 -0.588 . . . . 3.2 109.998 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -34.85 73.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.071 0.462 . . . . 5.67 110.244 173.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.54 96.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.598 -0.728 . . . . 3.35 110.754 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -73.26 -27.67 61.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.025 -0.534 . . . . 3.55 110.697 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.416 ' HB3' ' HB2' ' B' ' 15' ' ' TYR . 4.3 p-10 -81.56 19.64 1.0 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.887 -0.597 . . . . 2.27 111.456 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.0 t -62.96 136.88 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 3.23 110.637 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.456 ' H ' ' NE2' ' B' ' 63' ' ' GLN . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.551 -0.738 . . . . 4.3 110.21 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.675 0.274 . . . . 7.31 110.652 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 33.7 m -112.1 160.95 11.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.872 0.368 . . . . 5.19 111.018 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.461 ' HB3' ' HB2' ' B' ' 67' ' ' ASP . 9.7 t70 -129.39 23.86 5.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.621 0.724 . . . . 5.73 109.674 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -82.48 -172.86 4.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.163 -0.926 . . . . 2.89 109.972 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.45 ' HB3' HD11 ' A' ' 8' ' ' ILE . . . -157.86 167.27 30.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.014 0.435 . . . . 1.46 111.166 -175.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -95.33 135.06 37.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.724 -0.671 . . . . 1.49 109.941 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' B' ' 24' ' ' GLU . 19.0 pttp -68.51 -39.17 81.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.664 -0.698 . . . . 1.14 112.278 -173.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.91 -50.59 70.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 2.11 110.525 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.16 -35.66 81.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.533 -0.758 . . . . 1.68 111.278 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.497 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 18.6 mt -69.46 -43.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.741 -0.384 . . . . 0.96 110.724 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.9 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.25 111.006 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.25 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 0.33 110.652 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.56 -44.33 96.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.342 0.592 . . . . 1.56 109.479 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.461 HD13 HG23 ' B' ' 12' ' ' ILE . 89.7 mt -59.69 -53.05 53.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.957 -1.02 . . . . 0.25 112.04 -177.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.67 -35.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.517 -0.473 . . . . 0.18 110.795 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -59.09 -42.8 91.31 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.083 0.468 . . . . 0.57 110.442 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.506 ' O ' HG12 ' A' ' 19' ' ' ILE . 74.6 t80 -63.61 -50.15 70.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.772 -0.649 . . . . 1.4 110.767 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -65.02 -35.57 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.788 -0.365 . . . . 1.05 111.034 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 m -61.02 -40.22 92.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.937 -0.394 . . . . 0.9 109.937 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.6 t -66.97 -42.11 85.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.84 110.112 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 15' ' ' TYR . 42.3 mm -60.9 -47.96 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.28 111.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.65 -36.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.076 -0.25 . . . . 0.34 111.398 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.24 -43.92 96.7 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.905 0.383 . . . . 2.49 110.794 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -85.33 -1.36 56.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.264 0.554 . . . . 1.42 110.903 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 55.38 46.35 23.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.789 -1.096 . . . . 1.79 111.784 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB2' HG23 ' A' ' 19' ' ' ILE . 43.3 mm-40 -80.71 -3.46 50.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.77 -0.65 . . . . 1.83 110.568 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.8 tt -132.06 149.14 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.914 -0.585 . . . . 0.36 109.512 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -61.16 161.85 8.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 1.45 112.081 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -49.67 -57.05 7.96 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.29 0.848 . . . . 1.87 113.29 -172.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.56 -37.55 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 1.85 110.525 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -60.62 -47.09 92.89 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.758 -0.734 . . . . 0.31 111.557 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.22 82.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.671 0.272 . . . . 0.24 111.371 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.67 -39.82 92.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.851 0.358 . . . . 1.46 110.736 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 m -64.31 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.92 110.718 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 93.8 mt -76.13 -33.84 59.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.554 -0.294 . . . . 0.21 110.591 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.07 -49.82 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.21 110.659 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.2 m -68.79 -28.42 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 0.25 110.552 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -65.14 -53.29 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.18 110.511 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.07 -37.54 74.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.369 -0.378 . . . . 0.21 110.997 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.1 -46.33 85.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 1.68 110.676 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.77 -34.88 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.26 111.132 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 36' ' ' ALA . 91.9 mt -65.1 -49.16 80.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.141 0.496 . . . . 0.16 110.383 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.624 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 18.6 m -62.22 -40.43 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 1.13 110.471 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.54 -36.73 84.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 2.23 111.098 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.03 62.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.519 -0.31 . . . . 0.25 111.698 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.79 -5.78 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 1.15 111.434 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.13 9.81 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.43 113.19 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.624 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 21.5 p90 -141.46 170.0 16.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.017 0.408 . . . . 1.27 110.797 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -103.1 155.52 18.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 1.92 110.132 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -80.64 -14.98 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.156 0.503 . . . . 2.57 110.14 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.39 -8.07 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.864 -0.607 . . . . 2.23 110.608 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.56 -3.64 57.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 0.48 110.866 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.497 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.7 m -54.28 -41.08 50.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 112.828 0.677 . . . . 0.41 112.828 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 t -61.76 -50.97 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.372 . . . . 1.24 110.44 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.47 72.49 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.775 -0.648 . . . . 0.59 112.994 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -74.06 -53.84 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.57 111.015 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 90.2 mt -61.97 -17.92 58.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.469 -0.787 . . . . 0.65 113.074 -175.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.0 -5.85 66.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.546 -0.835 . . . . 0.91 113.043 -171.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -130.2 0.25 4.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.889 0.376 . . . . 2.22 110.734 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.425 ' OG ' ' HA ' ' A' ' 55' ' ' LEU . 34.6 m -66.04 162.99 18.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.468 0.651 . . . . 1.94 112.011 -171.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -88.64 2.13 53.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.247 -0.888 . . . . 5.07 111.851 -171.247 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.439 ' CZ ' HG12 ' A' ' 8' ' ' ILE . 50.8 m-85 -51.26 143.37 11.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.924 0.392 . . . . 2.78 111.653 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -73.61 83.61 1.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.371 -0.603 . . . . 6.17 109.371 176.195 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.61 -148.22 19.8 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.724 -0.95 . . . . 3.3 110.724 -175.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 52.8 mm-40 67.1 130.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.398 0.679 . . . . 4.2 110.558 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' A' ' 63' ' ' GLN . 50.9 m-70 78.98 -53.95 0.45 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.291 0.636 . . . . 7.06 109.595 -174.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.03 165.61 11.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.753 -0.658 . . . . 6.82 110.307 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 75.7 178.78 0.18 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.057 0.848 . . . . 3.2 111.979 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.477 ' HB2' ' HB3' ' B' ' 1' ' ' ASP . 10.2 m-20 -78.13 -45.68 22.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.363 -0.38 . . . . 5.67 110.185 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 67' ' ' ASP . 59.4 mt 77.09 141.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.74 0.781 . . . . 3.35 111.899 174.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' H ' ' HG ' ' A' ' 69' ' ' LEU . 3.3 pp -90.32 -29.51 18.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.203 -0.908 . . . . 3.56 111.305 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -97.99 21.5 10.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.445 . . . . 2.26 111.844 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -48.63 116.0 1.45 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.425 0.453 . . . . 3.22 111.695 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.591 -0.718 . . . . 4.3 109.791 178.292 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.675 0.274 . . . . 7.31 110.517 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 33.6 m -112.01 161.34 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.024 0.44 . . . . 5.19 111.008 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 67' ' ' ASP . 9.6 t70 -129.8 23.59 5.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.741 0.782 . . . . 5.72 109.729 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -82.47 -172.74 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.106 -0.952 . . . . 2.88 109.989 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.448 ' HB3' HD11 ' B' ' 8' ' ' ILE . . . -157.87 167.33 30.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.904 0.383 . . . . 1.46 111.179 -175.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.1 m -95.29 134.99 37.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.698 -0.683 . . . . 1.49 109.984 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -68.38 -39.39 81.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.758 -0.656 . . . . 1.14 112.344 -173.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.86 -50.39 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.206 0.527 . . . . 2.11 110.61 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.06 -35.71 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.433 -0.803 . . . . 1.68 111.348 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.455 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 18.6 mt -69.41 -43.46 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.67 -0.412 . . . . 0.96 110.7 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.66 -39.0 70.33 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.767 0.318 . . . . 0.24 111.028 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.35 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.33 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.46 -44.28 96.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.314 0.578 . . . . 1.56 109.494 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.461 HG23 HD13 ' A' ' 12' ' ' ILE . 89.1 mt -59.75 -52.94 55.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.945 -1.025 . . . . 0.24 112.07 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.73 -35.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.568 -0.453 . . . . 0.18 110.836 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -59.0 -42.75 90.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.57 110.397 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.512 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.6 t80 -63.78 -50.12 70.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 1.39 110.692 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -64.91 -35.56 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.824 -0.351 . . . . 1.04 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.5 m -60.98 -40.44 93.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.888 -0.412 . . . . 0.9 109.888 176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -66.72 -42.16 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 0.84 110.161 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 15' ' ' TYR . 42.4 mm -61.02 -47.89 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 0.28 111.308 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -74.81 -36.17 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.114 -0.235 . . . . 0.34 111.466 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.77 -43.36 96.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.984 0.421 . . . . 2.49 110.903 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -85.65 -1.42 57.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.129 0.49 . . . . 1.41 110.742 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.61 45.68 24.3 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.042 -0.981 . . . . 1.79 112.001 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.432 ' O ' ' HE2' ' A' ' 5' ' ' LYS . 43.4 mm-40 -80.16 -3.76 50.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.734 -0.666 . . . . 1.84 110.662 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 tt -131.64 149.25 32.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.818 -0.628 . . . . 0.36 109.504 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -61.44 162.12 8.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.168 0.433 . . . . 1.47 112.168 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -49.84 -57.17 7.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.25 0.833 . . . . 1.87 113.25 -171.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.48 -37.72 88.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.034 0.445 . . . . 1.84 110.435 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -60.33 -47.46 90.97 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.702 -0.761 . . . . 0.3 111.509 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.14 82.31 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.426 0.29 . . . . 0.24 111.446 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.55 -40.13 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.899 0.38 . . . . 1.47 110.643 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -64.15 -31.02 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.92 110.686 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 93.7 mt -75.96 -33.87 59.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.533 -0.303 . . . . 0.21 110.526 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -61.19 -49.57 76.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.403 -0.362 . . . . 0.21 110.735 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.92 -28.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.26 110.562 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.471 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -65.27 -53.4 44.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.18 110.366 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -57.97 -37.5 74.31 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.374 -0.376 . . . . 0.21 110.905 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.32 -46.15 86.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.565 -0.743 . . . . 1.68 110.701 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.71 -34.99 70.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 0.27 111.173 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 36' ' ' ALA . 91.7 mt -65.0 -49.14 81.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.131 0.491 . . . . 0.16 110.325 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.623 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -62.23 -40.45 96.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.572 -0.74 . . . . 1.13 110.552 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.39 -37.1 85.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.986 -0.552 . . . . 2.23 110.997 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -52.7 64.41 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.844 0.313 . . . . 0.25 111.844 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -91.31 -5.43 54.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 1.15 111.48 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.58 55.34 10.04 Favored Glycine 0 C--N 1.332 0.333 0 CA-C-N 115.461 -0.79 . . . . 0.43 113.163 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.623 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 21.3 p90 -141.77 169.76 16.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.92 0.36 . . . . 1.27 110.793 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -102.98 155.54 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.92 109.955 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -80.58 -15.17 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.056 0.455 . . . . 2.57 110.075 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.56 -7.24 55.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.966 -0.561 . . . . 2.24 110.736 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 -3.5 56.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.002 -0.544 . . . . 0.48 110.823 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 27.5 m -54.56 -41.44 54.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 115.762 -0.654 . . . . 0.41 112.764 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -61.14 -51.18 70.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 1.25 110.412 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.51 -38.89 72.25 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.903 -0.59 . . . . 0.59 113.188 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.33 -53.75 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.931 0.396 . . . . 0.57 111.106 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 89.9 mt -62.15 -18.02 59.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.348 -0.842 . . . . 0.65 112.991 -175.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.01 -5.68 65.96 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.571 -0.823 . . . . 0.91 112.984 -171.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -130.01 -0.17 4.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.819 0.309 . . . . 2.21 110.749 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.429 ' OG ' ' HA ' ' B' ' 55' ' ' LEU . 33.6 m -65.49 163.04 16.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.513 0.673 . . . . 1.94 112.058 -171.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' B' ' 59' ' ' GLU . 0.4 OUTLIER -88.76 2.13 53.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.16 -0.927 . . . . 5.06 111.937 -171.432 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.439 ' CZ ' HG12 ' B' ' 8' ' ' ILE . 51.7 m-85 -51.14 143.44 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 2.78 111.637 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' B' ' 61' ' ' LYS . 0.1 OUTLIER -73.77 84.01 1.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.257 -0.645 . . . . 6.16 109.257 176.054 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.21 -148.34 20.02 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.835 -0.906 . . . . 3.3 110.835 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.52 ' O ' ' HB2' ' B' ' 64' ' ' HIS . 52.5 mm-40 67.15 130.46 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.346 0.658 . . . . 4.2 110.535 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' HIS . . . . . 0.52 ' HB2' ' O ' ' B' ' 63' ' ' GLN . 50.5 m-70 78.8 -53.62 0.46 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.329 0.652 . . . . 7.07 109.648 -174.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.12 165.55 11.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.739 -0.664 . . . . 6.83 110.28 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 75.63 178.55 0.19 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.081 0.863 . . . . 3.2 112.064 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.461 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 11.4 m-20 -78.15 -45.36 23.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.171 -0.468 . . . . 5.67 110.04 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 59.1 mt 76.81 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.668 0.747 . . . . 3.35 111.887 174.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' B' ' 69' ' ' LEU . 3.3 pp -90.14 -29.8 18.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.28 -0.873 . . . . 3.55 111.218 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -97.73 21.22 10.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.387 . . . . 2.27 111.915 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -48.5 115.4 1.22 Allowed 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.413 0.446 . . . . 3.23 111.597 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.538 -0.744 . . . . 4.3 109.744 178.271 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.992 0.425 . . . . 7.31 110.629 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.14 161.59 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.775 0.322 . . . . 5.19 110.502 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -99.96 19.04 16.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.263 -0.426 . . . . 5.73 111.106 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -48.32 -52.11 23.0 Favored 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 109.359 -0.608 . . . . 2.89 109.359 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.72 130.23 55.36 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 107.722 -1.214 . . . . 1.46 107.722 165.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.2 m -101.7 137.06 40.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.466 0.65 . . . . 1.49 109.892 -175.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.537 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 17.9 pttp -59.4 -36.27 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.571 -1.195 . . . . 1.14 113.042 -170.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.29 -43.48 86.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.69 0.281 . . . . 2.11 110.724 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.29 -50.91 69.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.293 0.568 . . . . 1.68 110.3 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.409 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 mm -65.54 -45.56 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.397 -0.82 . . . . 0.96 110.856 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.36 71.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.687 0.28 . . . . 0.25 111.416 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 0.33 110.491 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.12 -40.21 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.856 -0.611 . . . . 1.56 109.734 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.455 HG12 HG12 ' B' ' 12' ' ' ILE . 74.3 mt -62.02 -54.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 0.25 112.196 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.8 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 0.18 110.986 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.05 -37.35 76.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.185 0.517 . . . . 0.57 110.312 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.521 ' OH ' ' HA ' ' B' ' 5' ' ' LYS . 83.6 t80 -63.48 -51.85 63.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 1.4 110.616 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.39 -35.29 80.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.559 -0.292 . . . . 1.05 110.71 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -60.9 -35.51 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.12 0.486 . . . . 0.9 110.026 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 48.6 m -73.93 -41.14 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.84 110.974 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.9 mm -63.05 -44.02 99.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.45 -0.341 . . . . 0.28 111.1 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -74.22 -31.63 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.684 -0.235 . . . . 0.34 110.957 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.49 -50.92 72.0 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.333 0.587 . . . . 2.49 110.633 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 18' ' ' SER . 46.1 mttm -86.37 -3.2 58.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 1.42 110.968 -174.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.95 45.22 29.25 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.667 -1.152 . . . . 1.79 112.197 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.05 9.09 15.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.83 110.568 177.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.15 151.24 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 0.36 109.253 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -54.2 140.41 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 1.45 110.168 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.95 -27.43 69.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.932 -0.576 . . . . 1.87 112.02 -170.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.79 -46.6 78.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.282 0.563 . . . . 1.85 109.506 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.32 -34.8 86.38 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.339 -0.846 . . . . 0.31 111.81 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.93 83.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.709 0.29 . . . . 0.24 110.981 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.88 -37.53 84.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 1.46 110.352 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -65.59 -33.03 74.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.802 -0.636 . . . . 0.92 110.26 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.32 -34.6 65.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.21 110.468 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -60.22 -51.53 69.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.21 110.794 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.2 -28.65 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.25 110.763 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.99 -49.8 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.274 -0.421 . . . . 0.18 110.329 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.8 -37.64 76.79 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.21 111.647 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -41.63 99.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 1.68 111.055 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.64 -34.78 78.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.441 . . . . 0.26 110.405 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.7 mt -69.02 -47.07 77.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.524 . . . . 0.16 110.709 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 11.7 p -65.56 -37.43 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 1.13 111.011 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.01 -37.53 85.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 2.23 110.802 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -51.62 53.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.25 112.038 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 84.6 m-85 -94.62 -7.39 41.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.152 0.427 . . . . 1.15 112.152 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.75 30.11 Favored Glycine 0 C--O 1.229 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.43 113.066 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 14.9 p90 -135.28 165.01 26.42 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.642 -0.328 . . . . 1.27 110.554 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.98 149.51 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 1.92 110.032 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -20.73 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.008 0.432 . . . . 2.57 110.402 -173.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.01 -7.43 45.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 2.23 110.785 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.5 1.53 57.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.108 -0.496 . . . . 0.48 110.574 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.83 -36.59 15.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 115.455 -0.793 . . . . 0.41 112.755 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -61.86 -46.96 87.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.311 . . . . 1.24 110.776 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -39.42 83.78 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.861 -0.609 . . . . 0.59 112.825 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.29 -54.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.727 0.298 . . . . 0.57 111.069 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.3 -42.16 94.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.65 111.807 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.14 -14.69 33.57 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 121.015 -0.612 . . . . 0.91 113.752 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -84.29 -20.13 32.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.037 0.446 . . . . 2.22 110.395 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.7 m -119.63 120.59 37.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.07 0.462 . . . . 1.94 111.296 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.54 -36.26 33.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 5.07 111.092 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 63.13 119.37 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.769 0.668 . . . . 2.78 111.561 -176.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.88 53.7 2.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.717 0.77 . . . . 6.17 109.973 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.68 -39.88 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.05 -0.977 . . . . 3.3 111.025 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' HA ' ' OD1' ' A' ' 67' ' ' ASP . 27.1 mt-30 -58.86 126.22 26.77 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.654 -0.273 . . . . 4.2 110.321 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -165.27 -39.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.193 0.442 . . . . 7.06 112.193 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -147.77 124.64 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.705 -0.398 . . . . 6.82 110.866 -171.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 73.22 -42.12 0.52 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.709 0.804 . . . . 3.2 111.753 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' HA ' ' A' ' 63' ' ' GLN . 3.7 p30 -63.9 -24.09 67.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.179 -0.464 . . . . 5.67 111.06 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.7 mt -82.64 -9.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.137 0.494 . . . . 3.35 110.29 -176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.47 -44.31 89.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 3.56 109.903 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -104.95 18.51 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.119 -0.491 . . . . 2.26 111.045 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -98.79 105.63 17.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.782 -0.451 . . . . 3.22 109.782 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 O-C-N 123.69 0.619 . . . . 4.3 110.963 -177.903 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.091 0.472 . . . . 7.31 110.657 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.89 161.34 40.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 5.19 110.403 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.53 18.4 18.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.29 -0.413 . . . . 5.72 111.096 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t -48.02 -52.07 21.43 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.431 -0.581 . . . . 2.88 109.431 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.87 130.03 55.42 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.627 -1.249 . . . . 1.46 107.627 165.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 46.7 m -101.58 136.95 40.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.398 0.618 . . . . 1.49 109.862 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.521 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 17.9 pttp -59.37 -36.33 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.615 -1.175 . . . . 1.14 113.036 -170.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.17 -43.58 86.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.811 0.338 . . . . 2.11 110.724 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.18 -50.9 69.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.239 0.542 . . . . 1.68 110.394 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.406 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.6 mm -65.57 -45.45 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.84 . . . . 0.96 110.779 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.28 71.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.669 0.271 . . . . 0.24 111.432 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 0.33 110.464 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.865 -0.607 . . . . 1.56 109.697 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.455 HG12 HG12 ' A' ' 12' ' ' ILE . 74.4 mt -62.01 -54.84 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.145 -0.934 . . . . 0.24 112.17 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.8 -35.31 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.568 -0.453 . . . . 0.18 110.935 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -59.19 -37.41 77.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.167 0.508 . . . . 0.57 110.228 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.537 ' OH ' ' HA ' ' A' ' 5' ' ' LYS . 83.0 t80 -63.23 -51.85 64.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.643 -0.708 . . . . 1.39 110.705 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.635 -0.257 . . . . 1.04 110.801 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -61.17 -35.1 76.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 0.9 110.19 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' B' ' 22' ' ' LYS . 46.5 m -74.41 -40.9 61.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.679 -0.691 . . . . 0.84 110.896 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.422 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.6 mm -63.12 -43.93 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 0.28 111.155 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.37 -31.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.608 -0.269 . . . . 0.34 110.81 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.42 -50.53 73.37 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.317 0.579 . . . . 2.49 110.605 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 18' ' ' SER . 46.4 mttm -86.83 -3.02 59.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.497 -0.774 . . . . 1.41 110.831 -174.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.72 45.19 29.17 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.686 -1.143 . . . . 1.79 112.247 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.14 9.35 15.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 1.84 110.615 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.39 151.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.612 -0.722 . . . . 0.36 109.155 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.23 140.54 32.42 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.375 0.422 . . . . 1.47 110.143 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.31 -26.81 68.94 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 1.87 112.13 -170.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -46.88 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.567 -0.531 . . . . 1.84 109.567 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -34.67 87.8 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.324 -0.853 . . . . 0.3 111.932 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.26 83.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.717 0.294 . . . . 0.24 110.963 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.76 -37.41 84.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.087 0.47 . . . . 1.47 110.438 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.48 -33.29 75.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 0.92 110.184 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.93 -34.77 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.21 110.518 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.18 -51.5 69.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.21 110.788 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.18 -28.66 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 0.26 110.797 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.91 -49.85 73.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 0.18 110.319 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.96 -37.73 77.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.21 111.588 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -41.9 99.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.698 0.285 . . . . 1.68 111.02 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.74 -34.73 78.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 0.27 110.528 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.0 mt -68.89 -47.23 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.16 110.64 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 12.3 p -65.65 -36.95 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 1.13 111.126 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -62.45 -37.39 85.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 2.23 110.795 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -51.36 55.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.25 112.13 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 84.6 m-85 -95.01 -6.88 41.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.112 0.412 . . . . 1.15 112.112 -174.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 47.62 32.79 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.43 113.102 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 14.7 p90 -135.07 165.47 25.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.771 0.32 . . . . 1.27 110.538 -178.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -98.2 149.4 22.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.947 -0.57 . . . . 1.92 110.061 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.78 42.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 2.57 110.453 -173.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.96 -7.49 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.194 0.521 . . . . 2.24 110.824 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.35 1.38 57.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 0.48 110.632 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.78 -36.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.483 -0.781 . . . . 0.41 112.729 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -61.95 -46.45 89.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 1.25 110.832 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.58 -39.91 86.26 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.59 112.789 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -75.13 -54.77 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.57 111.065 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.93 -42.46 94.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.536 . . . . 0.65 111.784 -176.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.94 -15.03 33.72 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.011 -0.614 . . . . 0.91 113.811 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -83.88 -20.64 32.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.169 0.509 . . . . 2.21 110.436 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 12.8 m -119.09 120.37 36.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 1.94 111.296 -173.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.33 -36.49 34.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 5.06 111.136 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 63.7 119.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.208 0.528 . . . . 2.78 111.505 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.55 53.57 1.88 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.7 0.762 . . . . 6.16 110.101 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.72 -39.81 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.041 -0.981 . . . . 3.3 110.913 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.412 ' HA ' ' OD1' ' B' ' 67' ' ' ASP . 27.1 mt-30 -58.94 126.08 26.24 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.739 -0.231 . . . . 4.2 110.446 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -165.26 -39.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.307 0.484 . . . . 7.07 112.307 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -147.76 124.26 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.704 -0.398 . . . . 6.83 110.893 -171.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 73.42 -41.85 0.51 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.73 0.812 . . . . 3.2 111.711 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' B' ' 63' ' ' GLN . 3.7 p30 -64.19 -23.93 67.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.112 -0.494 . . . . 5.67 110.958 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 35.9 mt -82.48 -10.23 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.094 0.473 . . . . 3.35 110.35 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.41 -43.84 88.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 3.55 110.02 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -105.1 18.47 22.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.461 . . . . 2.27 111.029 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -98.96 105.1 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.893 -0.41 . . . . 3.23 109.893 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 O-C-N 123.73 0.644 . . . . 4.3 110.641 -177.36 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.692 0.282 . . . . 7.31 110.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 31.0 m -106.62 158.36 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 5.19 111.014 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -179.33 79.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.915 -0.772 . . . . 5.73 108.915 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -66.14 149.98 49.46 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.634 -0.712 . . . . 2.89 110.843 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.77 -175.86 0.44 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.049 -0.723 . . . . 1.46 109.049 170.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.429 ' HB2' ' HG3' ' A' ' 7' ' ' GLU . 36.2 m -101.63 136.01 42.18 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.822 -0.549 . . . . 1.49 109.547 -175.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 19.2 pttm -70.08 -19.58 63.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.825 -0.625 . . . . 1.14 110.917 -176.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.97 -41.01 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.98 -0.554 . . . . 2.11 110.499 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.637 ' OE2' ' HA ' ' A' ' 58' ' ' SER . 39.8 mt-10 -61.15 -46.46 90.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.191 0.519 . . . . 1.68 110.242 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.552 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 44.9 mt -70.12 -46.57 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 0.96 110.726 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.99 65.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.616 0.246 . . . . 0.25 111.343 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.94 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.33 110.504 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.1 -40.8 86.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 1.56 110.6 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 8' ' ' ILE . 77.3 mt -60.55 -57.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 0.25 111.881 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.62 -35.88 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.896 -0.321 . . . . 0.18 110.803 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.82 -42.19 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.57 110.591 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.554 ' CZ ' HD12 ' B' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.21 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 1.4 111.043 -176.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.1 -38.75 92.41 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.88 -0.328 . . . . 1.05 110.422 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -62.59 -35.66 80.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 0.9 110.042 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -72.91 -43.65 62.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.84 110.479 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 15' ' ' TYR . 36.9 mm -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.28 111.41 -179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.42 -33.78 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.019 -0.272 . . . . 0.34 111.0 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.37 -48.37 81.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.921 0.391 . . . . 2.49 110.653 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -80.76 -4.0 52.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.023 -0.535 . . . . 1.42 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt 55.67 41.92 29.96 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.066 -0.97 . . . . 1.79 111.782 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.89 5.9 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.945 0.403 . . . . 1.83 111.1 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' CE1' ' B' ' 44' ' ' PHE . 15.8 tt -130.59 146.68 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.481 -0.563 . . . . 0.36 109.481 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -57.79 151.57 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.231 -0.44 . . . . 1.45 111.308 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -50.21 -48.16 54.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.227 0.454 . . . . 1.87 112.227 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.17 -41.98 80.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.287 0.565 . . . . 1.85 110.8 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -68.28 -41.25 86.47 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.31 112.066 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.672 0.249 . . . . 0.24 111.672 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.27 -39.72 87.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 1.46 110.669 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.34 -30.38 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 0.92 110.556 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.93 -33.41 57.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.305 . . . . 0.21 110.757 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -63.3 -48.36 78.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.21 110.795 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 m -68.09 -29.85 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 0.25 110.397 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.296 -0.411 . . . . 0.18 110.477 176.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.2 mtm -56.74 -38.1 71.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 0.21 111.407 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.85 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 1.68 110.763 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.6 m -64.68 -36.38 84.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.26 111.311 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 36' ' ' ALA . 87.8 mt -66.09 -49.43 76.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.487 . . . . 0.16 110.4 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.463 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 14.9 m -64.12 -39.4 93.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 1.13 110.775 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.84 -27.56 67.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 2.23 111.08 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -51.4 24.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.545 -0.298 . . . . 0.25 111.354 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' B' ' 25' ' ' ILE . 74.6 m-85 -93.48 -6.21 47.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 1.15 111.9 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.06 54.3 28.46 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.43 112.973 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 17.1 p90 -136.81 166.79 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.856 0.328 . . . . 1.27 110.528 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -96.96 147.36 24.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 1.92 109.879 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -81.08 -18.3 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.138 0.494 . . . . 2.57 110.057 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -84.96 -4.17 59.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 2.23 110.411 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.89 1.26 56.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.837 -0.62 . . . . 0.48 110.839 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.662 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 m -55.28 -39.4 51.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-N 116.083 -0.508 . . . . 0.41 111.83 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 p -57.06 -56.93 15.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.777 0.322 . . . . 1.24 110.967 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.18 -38.55 56.64 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.745 -0.662 . . . . 0.59 113.375 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -45.74 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.843 0.322 . . . . 0.57 111.091 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt -61.4 -41.44 97.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.249 -0.432 . . . . 0.65 111.322 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.45 -13.68 60.98 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.456 -0.878 . . . . 0.91 112.322 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -99.6 -7.81 25.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.967 0.413 . . . . 2.22 110.517 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.637 ' HA ' ' OE2' ' A' ' 7' ' ' GLU . 94.9 p -69.14 140.41 54.72 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.19 0.519 . . . . 1.94 111.626 -173.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -91.14 0.93 57.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.704 -0.68 . . . . 5.07 110.975 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -64.88 136.23 56.63 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.997 -0.547 . . . . 2.78 110.713 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -101.11 144.12 30.4 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.573 -0.739 . . . . 6.17 110.602 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.49 13.84 49.75 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.717 -0.754 . . . . 3.3 111.319 -174.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -72.22 -166.33 0.24 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.783 -0.208 . . . . 4.2 111.184 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.7 m80 66.81 132.08 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.856 -0.611 . . . . 7.06 109.81 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.522 ' H ' HD23 ' A' ' 65' ' ' LEU . 2.5 pt? -60.29 121.3 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.281 0.563 . . . . 6.82 111.742 -172.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -170.22 -75.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.102 -0.954 . . . . 3.2 109.554 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.68 -34.15 30.85 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.527 -0.916 . . . . 5.67 108.527 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 16.5 pt -119.74 109.12 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.415 -1.266 . . . . 3.35 109.608 172.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 pp -81.8 -2.49 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.692 0.282 . . . . 3.56 111.347 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.34 3.65 5.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.124 0.488 . . . . 2.26 111.828 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -68.38 -24.81 64.82 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.164 -0.335 . . . . 3.22 110.18 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.454 -0.794 . . . . 4.3 111.413 178.639 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.795 0.331 . . . . 7.31 110.543 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 30.7 m -106.25 158.67 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.807 0.337 . . . . 5.19 110.81 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -179.71 80.21 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.661 -0.866 . . . . 5.72 108.661 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -66.24 149.88 49.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.639 -0.71 . . . . 2.88 110.81 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.64 -175.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.502 -0.772 . . . . 1.46 109.077 170.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' B' ' 7' ' ' GLU . 34.1 m -101.66 135.96 42.31 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.851 -0.53 . . . . 1.49 109.595 -175.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' B' ' 5' ' ' LYS . 19.2 pttm -70.0 -19.56 63.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.798 -0.637 . . . . 1.14 110.936 -176.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.09 -40.93 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.972 -0.558 . . . . 2.11 110.495 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.639 ' OE2' ' HA ' ' B' ' 58' ' ' SER . 39.5 mt-10 -61.16 -46.53 90.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.066 -0.515 . . . . 1.68 110.258 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.554 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 45.2 mt -70.12 -46.5 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.528 -0.76 . . . . 0.96 110.78 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.57 -39.84 65.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.601 0.238 . . . . 0.24 111.338 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.82 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.33 110.545 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.11 -40.7 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.002 0.43 . . . . 1.56 110.672 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 8' ' ' ILE . 77.3 mt -60.75 -57.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.534 -0.757 . . . . 0.24 111.758 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.38 -36.1 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.943 -0.303 . . . . 0.18 110.808 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.92 -41.96 88.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.57 110.694 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.552 ' CZ ' HD12 ' A' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.3 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 1.39 110.956 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.15 -38.6 91.81 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.899 -0.32 . . . . 1.04 110.441 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -62.83 -35.27 79.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 0.9 110.118 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -73.17 -43.66 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.84 110.443 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.424 HG12 ' O ' ' B' ' 15' ' ' TYR . 37.0 mm -61.02 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.28 111.324 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -72.28 -33.91 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 121.029 -0.269 . . . . 0.34 110.997 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.37 -48.42 81.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.098 0.475 . . . . 2.49 110.672 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -80.77 -3.95 52.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.979 -0.555 . . . . 1.41 111.04 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt 55.65 41.73 30.2 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.984 -1.007 . . . . 1.79 111.789 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.79 5.86 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 1.84 111.002 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.463 HD12 ' CE1' ' A' ' 44' ' ' PHE . 15.9 tt -130.54 146.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.525 -0.546 . . . . 0.36 109.525 177.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -57.81 151.61 17.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.283 -0.417 . . . . 1.47 111.381 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.1 -48.03 53.51 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.267 0.469 . . . . 1.87 112.267 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.41 -42.35 82.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.092 0.473 . . . . 1.84 110.683 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.79 -41.53 88.51 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.566 -0.743 . . . . 0.3 112.058 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.28 -48.97 75.56 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 111.63 0.233 . . . . 0.24 111.63 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.23 -39.6 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.443 . . . . 1.47 110.707 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -65.45 -30.54 71.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 0.92 110.581 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 90.7 mt -76.85 -33.26 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.21 110.724 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.4 -48.39 78.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.248 -0.433 . . . . 0.21 110.772 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.21 -29.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.946 -0.301 . . . . 0.26 110.467 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.97 -50.3 69.11 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.475 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.1 mtm -56.54 -38.51 71.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.328 -0.396 . . . . 0.21 111.327 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.85 -48.3 82.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.511 . . . . 1.68 110.665 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 86.3 m -64.94 -36.38 84.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.27 111.28 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 36' ' ' ALA . 88.1 mt -66.05 -49.22 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.219 0.533 . . . . 0.16 110.474 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.466 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.1 m -64.64 -39.28 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.622 -0.717 . . . . 1.13 110.717 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.85 -26.8 67.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.03 -0.532 . . . . 2.23 111.229 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.07 -51.17 22.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.707 0.289 . . . . 0.25 111.412 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CE1' HD12 ' A' ' 25' ' ' ILE . 74.9 m-85 -93.35 -7.16 45.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 1.15 111.889 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.8 54.11 27.14 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.43 113.053 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 17.1 p90 -136.8 166.3 23.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.888 0.344 . . . . 1.27 110.45 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -96.61 147.32 24.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 1.92 109.758 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -80.9 -18.54 46.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.988 0.423 . . . . 2.57 110.115 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.56 -4.85 59.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 2.24 110.418 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.2 0.96 57.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 0.48 110.739 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.671 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 17.3 m -54.95 -39.45 49.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.41 111.857 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.8 p -57.15 -56.98 14.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.857 0.36 . . . . 1.25 110.897 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.42 -38.12 57.0 Favored Glycine 0 CA--C 1.52 0.382 0 CA-C-N 115.684 -0.689 . . . . 0.59 113.305 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.5 mt -74.49 -45.83 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.025 0.413 . . . . 0.57 111.081 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 23.9 mt -61.58 -41.21 97.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.324 -0.398 . . . . 0.65 111.279 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.65 -13.17 60.61 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.522 -0.847 . . . . 0.91 112.556 174.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -99.8 -8.32 24.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.091 0.472 . . . . 2.21 110.547 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.639 ' HA ' ' OE2' ' B' ' 7' ' ' GLU . 91.9 p -68.56 140.68 55.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 1.94 111.505 -173.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -91.54 0.91 57.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.696 -0.684 . . . . 5.06 110.977 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -64.86 136.69 57.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 2.78 110.75 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -101.27 144.09 30.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.654 -0.703 . . . . 6.16 110.463 -175.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.46 14.1 48.87 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.647 -0.787 . . . . 3.3 111.286 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -72.43 -166.58 0.27 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.708 -0.246 . . . . 4.2 111.095 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 53.0 m80 67.1 132.04 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.821 -0.627 . . . . 7.07 109.676 -169.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.522 ' H ' HD23 ' B' ' 65' ' ' LEU . 2.5 pt? -60.14 121.35 11.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.345 0.593 . . . . 6.83 111.735 -172.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -170.18 -76.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.081 -0.963 . . . . 3.2 109.377 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -81.76 -33.97 30.67 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.46 -0.941 . . . . 5.67 108.46 172.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' B' ' 65' ' ' LEU . 16.6 pt -119.81 109.21 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.505 -1.225 . . . . 3.35 109.559 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.94 -2.44 51.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.841 0.353 . . . . 3.55 111.449 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -73.33 3.69 5.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.134 0.492 . . . . 2.27 111.778 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -68.47 -24.85 64.74 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.175 -0.328 . . . . 3.23 110.228 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.576 -0.738 . . . . 4.3 111.467 178.536 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.162 0.505 . . . . 7.31 111.211 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 13.5 m -105.1 -178.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 5.19 110.126 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 55.62 24.55 7.15 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.685 0.755 . . . . 5.73 111.293 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -110.35 179.78 3.99 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.697 -0.683 . . . . 2.89 109.904 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.85 161.56 0.25 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.001 0.813 . . . . 1.46 111.11 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.7 t -107.73 147.02 31.33 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.462 0.649 . . . . 1.49 109.965 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -73.57 -18.46 61.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.069 -0.969 . . . . 1.14 109.957 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.18 -42.54 93.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.496 -0.774 . . . . 2.11 110.121 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' OE1' ' HA ' ' A' ' 58' ' ' SER . 41.0 mt-10 -58.16 -51.19 70.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.408 0.623 . . . . 1.68 110.564 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 49.1 mt -66.9 -43.1 89.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.206 -0.907 . . . . 0.96 110.943 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.63 72.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.508 0.195 . . . . 0.25 111.217 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -46.54 90.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.33 110.74 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.22 -43.45 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.484 . . . . 1.56 110.328 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 8' ' ' ILE . 85.5 mt -59.29 -54.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.152 -0.931 . . . . 0.25 112.067 -176.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.61 -39.78 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.696 -0.402 . . . . 0.18 111.001 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.76 -33.93 73.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.44 . . . . 0.57 110.517 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.49 ' O ' HG12 ' A' ' 19' ' ' ILE . 55.1 t80 -65.88 -50.43 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 1.4 110.803 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.25 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.986 -0.286 . . . . 1.05 110.497 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 49.0 m -61.05 -43.87 98.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.248 -0.433 . . . . 0.9 109.848 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -65.06 -38.15 89.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.316 -0.402 . . . . 0.84 110.473 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 15' ' ' TYR . 45.7 mm -61.85 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.491 -0.322 . . . . 0.28 111.223 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -75.71 -28.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.063 -0.255 . . . . 0.34 111.092 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 17' ' ' SER . 29.0 mm-40 -64.84 -47.8 76.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.956 0.408 . . . . 2.49 110.602 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.81 -11.26 59.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.42 111.022 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.31 40.99 32.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.938 -1.028 . . . . 1.79 111.647 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.1 8.23 6.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.964 -0.562 . . . . 1.83 111.143 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.49 149.42 24.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.586 -0.524 . . . . 0.36 109.586 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -58.28 148.16 28.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.11 0.481 . . . . 1.45 110.06 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.42 -28.38 69.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.337 -0.847 . . . . 1.87 112.324 -170.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 1.85 109.732 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -39.02 90.12 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.31 111.453 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.42 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.24 111.132 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.24 -39.68 91.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 1.46 110.472 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -63.8 -34.48 78.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.984 -0.553 . . . . 0.92 110.265 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.32 -37.01 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.826 0.346 . . . . 0.21 110.522 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -59.81 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.21 110.826 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.5 m -71.8 -31.75 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.846 -0.342 . . . . 0.25 110.667 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -59.4 -52.98 63.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.74 0.305 . . . . 0.18 110.404 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mtm -57.02 -38.81 73.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.114 -0.494 . . . . 0.21 111.375 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -45.96 90.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 1.68 110.606 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.88 -40.48 95.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.26 110.764 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 36' ' ' ALA . 83.2 mt -64.16 -47.69 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.16 110.349 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.579 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 22.3 m -62.15 -41.38 98.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.681 . . . . 1.13 110.825 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.3 -41.35 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 2.23 110.834 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.96 94.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.25 112.146 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -104.6 -3.49 23.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.886 0.374 . . . . 1.15 111.801 -176.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.8 46.14 54.73 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.896 -0.593 . . . . 0.43 113.386 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 16.8 p90 -133.75 165.1 25.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.752 0.276 . . . . 1.27 110.394 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.49 154.25 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.133 -0.485 . . . . 1.92 109.811 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -81.01 -22.4 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.232 -0.655 . . . . 2.57 109.232 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.9 -12.03 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.376 -0.829 . . . . 2.23 110.751 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.78 3.81 53.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.48 110.926 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.643 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 8.0 m -49.42 -45.21 18.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 115.824 -0.625 . . . . 0.41 112.068 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -56.28 -48.89 75.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 1.24 111.305 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.22 -45.31 52.21 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.646 -0.706 . . . . 0.59 112.953 175.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.9 mt -76.65 -40.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.536 . . . . 0.57 110.772 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 63.9 mt -68.48 -17.65 64.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.866 -0.606 . . . . 0.65 111.907 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.43 -18.52 58.65 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.102 -1.047 . . . . 0.91 111.078 -174.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -107.32 5.81 27.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.034 0.445 . . . . 2.22 110.136 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.43 ' HA ' ' OE1' ' A' ' 7' ' ' GLU . 23.1 t -85.39 148.33 26.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.933 -0.576 . . . . 1.94 110.325 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -82.0 -11.19 58.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.531 . . . . 5.07 110.248 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.445 ' CE1' HD12 ' B' ' 65' ' ' LEU . 91.1 m-85 -75.98 92.71 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 2.78 110.243 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -83.06 54.82 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.637 -0.71 . . . . 6.17 110.796 -175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.22 11.33 83.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.933 -0.651 . . . . 3.3 112.519 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 63.41 -170.42 0.18 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.671 0.388 . . . . 4.2 111.268 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -75.77 -38.95 57.86 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.697 -0.401 . . . . 7.06 110.827 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.458 HD12 ' CE1' ' B' ' 60' ' ' PHE . 86.4 mt -92.39 135.75 33.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.404 -0.362 . . . . 6.82 110.716 -176.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.62 4.28 22.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 3.2 111.669 -175.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.43 -19.57 52.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.466 -0.334 . . . . 5.67 110.609 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.47 84.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.406 0.622 . . . . 3.35 110.237 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -86.44 -6.67 58.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.766 -0.652 . . . . 3.56 110.822 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -85.89 18.93 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 2.26 110.762 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 p -97.71 179.01 4.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.945 -0.57 . . . . 3.22 110.163 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.61 -0.71 . . . . 4.3 110.157 177.009 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 121.242 0.544 . . . . 7.31 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 13.3 m -105.04 -178.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 5.19 110.105 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.0 t70 55.5 24.89 7.24 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.672 0.748 . . . . 5.72 111.214 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -110.61 179.77 3.98 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.713 -0.676 . . . . 2.88 109.985 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 74.17 161.84 0.25 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.962 0.789 . . . . 1.46 111.127 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 32.3 t -108.22 146.98 32.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.482 0.658 . . . . 1.49 109.864 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -73.63 -18.4 61.05 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.046 -0.979 . . . . 1.14 109.906 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.26 -42.5 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.795 . . . . 2.11 110.096 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.45 ' OE1' ' HA ' ' B' ' 58' ' ' SER . 40.8 mt-10 -58.17 -51.16 70.88 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.461 0.648 . . . . 1.68 110.621 177.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.477 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 49.1 mt -66.88 -43.12 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.216 -0.902 . . . . 0.96 110.989 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.71 71.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.669 0.271 . . . . 0.24 111.33 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.39 90.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 0.33 110.697 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.37 -43.42 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 1.56 110.311 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.443 HG13 ' O ' ' B' ' 8' ' ' ILE . 85.1 mt -59.33 -54.69 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.165 -0.925 . . . . 0.24 112.072 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.76 -39.64 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.66 -0.416 . . . . 0.18 111.047 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -60.75 -33.93 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.982 0.42 . . . . 0.57 110.555 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.493 ' O ' HG12 ' B' ' 19' ' ' ILE . 55.1 t80 -66.04 -50.26 64.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 1.39 110.77 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.32 -32.88 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.665 0.269 . . . . 1.04 110.479 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' B' ' 21' ' ' GLU . 49.6 m -61.03 -43.94 98.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.9 109.925 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -65.02 -38.24 90.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.84 110.532 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 15' ' ' TYR . 45.6 mm -61.58 -43.33 96.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.467 -0.333 . . . . 0.28 111.233 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.82 -27.9 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.931 -0.308 . . . . 0.34 111.052 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' B' ' 17' ' ' SER . 27.6 mm-40 -65.04 -47.67 76.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.39 . . . . 2.49 110.469 173.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -75.8 -11.2 59.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.21 0.529 . . . . 1.41 111.036 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.57 40.41 31.83 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 114.879 -1.055 . . . . 1.79 111.648 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -78.9 8.75 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 1.84 111.14 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.95 149.13 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.654 -0.499 . . . . 0.36 109.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -57.87 147.87 27.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.16 0.505 . . . . 1.47 109.983 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.55 -28.24 69.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.832 . . . . 1.87 112.335 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -71.16 -40.3 71.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 1.84 109.699 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.81 -39.04 89.96 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.407 -0.677 . . . . 0.3 111.407 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.37 81.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.763 0.316 . . . . 0.24 111.15 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.43 -39.2 89.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.951 0.405 . . . . 1.47 110.568 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.4 t -63.96 -34.83 78.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.92 110.199 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.99 -37.01 75.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.411 -0.359 . . . . 0.21 110.584 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -59.86 -48.59 81.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.21 110.879 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.7 -31.7 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.791 -0.364 . . . . 0.26 110.678 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -59.44 -52.99 63.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 120.655 0.264 . . . . 0.18 110.404 175.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.6 mtm -56.98 -38.91 73.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.21 111.388 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.37 -46.09 90.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.68 110.577 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.94 -40.48 95.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 0.27 110.606 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.8 mt -64.3 -47.5 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.16 110.33 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.585 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 22.2 m -62.24 -41.24 98.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.772 -0.649 . . . . 1.13 110.779 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.64 -40.72 97.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 2.23 110.92 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.78 95.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.965 -0.562 . . . . 0.25 112.053 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -104.56 -3.6 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.644 -0.422 . . . . 1.15 111.801 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.91 46.31 53.1 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.43 113.332 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.585 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 16.8 p90 -133.79 165.22 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.896 0.348 . . . . 1.27 110.367 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.26 154.24 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.188 -0.46 . . . . 1.92 109.937 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 2.57 109.201 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.6 -11.85 52.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 2.24 110.699 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.85 3.87 53.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 0.48 110.958 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.643 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 8.2 m -49.57 -45.37 19.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.784 -0.644 . . . . 0.41 112.07 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 1.25 111.133 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.23 -45.02 52.46 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.647 -0.706 . . . . 0.59 113.052 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 56.6 mt -76.89 -40.61 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.172 0.51 . . . . 0.57 110.801 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 63.2 mt -68.49 -17.6 64.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.828 -0.624 . . . . 0.65 112.011 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.11 -19.22 57.86 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.226 -0.987 . . . . 0.91 111.065 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -106.87 5.63 28.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.05 0.452 . . . . 2.21 110.059 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.45 ' HA ' ' OE1' ' B' ' 7' ' ' GLU . 23.0 t -85.3 148.09 26.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 1.94 110.422 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.75 -11.04 59.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.09 -0.504 . . . . 5.06 110.401 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.458 ' CE1' HD12 ' A' ' 65' ' ' LEU . 91.6 m-85 -76.07 92.93 3.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 2.78 110.171 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -83.03 54.45 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.651 -0.704 . . . . 6.16 110.748 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.14 83.48 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.868 -0.682 . . . . 3.3 112.581 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 63.39 -171.08 0.18 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 122.815 0.446 . . . . 4.2 111.262 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -74.98 -39.13 61.43 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.741 -0.384 . . . . 7.07 110.749 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.445 HD12 ' CE1' ' A' ' 60' ' ' PHE . 85.9 mt -92.11 136.2 33.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.895 0.379 . . . . 6.83 110.655 -176.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.04 4.07 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 3.2 111.671 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -19.47 53.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.441 -0.345 . . . . 5.67 110.654 177.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.56 83.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.487 0.661 . . . . 3.35 110.407 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.12 -6.62 58.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.673 -0.694 . . . . 3.55 110.769 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -85.9 18.86 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 2.27 110.797 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 12.5 p -97.68 179.1 4.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.806 -0.634 . . . . 3.23 110.268 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.549 -0.738 . . . . 4.3 110.017 177.026 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.271 0.558 . . . . 7.31 110.631 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 22.3 m -131.82 178.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.768 -0.651 . . . . 5.19 109.806 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.62 36.28 1.64 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.132 -1.062 . . . . 5.73 108.132 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -78.29 -171.78 2.55 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.114 -1.403 . . . . 2.89 111.431 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.74 174.59 10.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.548 -0.538 . . . . 1.46 109.548 176.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.5 m -99.29 136.77 38.75 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.668 -0.493 . . . . 1.49 109.668 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -65.4 -29.2 69.88 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.844 -0.616 . . . . 1.14 112.076 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.58 -44.13 83.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 2.11 110.282 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -62.65 -41.99 99.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 1.68 110.65 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.86 -40.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.885 -0.598 . . . . 0.96 110.417 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.81 77.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.525 -0.307 . . . . 0.25 111.091 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.21 94.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.33 110.528 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.91 -45.34 94.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.822 -0.626 . . . . 1.56 109.456 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.35 -46.96 95.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.474 -0.784 . . . . 0.25 112.149 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.41 -36.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.501 -0.48 . . . . 0.18 110.981 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.39 -37.04 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.307 0.575 . . . . 0.57 109.779 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.559 ' O ' HG12 ' A' ' 19' ' ' ILE . 66.3 t80 -59.94 -53.05 62.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.351 -0.841 . . . . 1.4 110.543 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -64.8 -32.34 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.547 -0.297 . . . . 1.05 110.982 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.4 m -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.714 -0.476 . . . . 0.9 109.714 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.2 t -56.29 -33.51 65.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.259 0.552 . . . . 0.84 110.86 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.7 mm -71.92 -52.02 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.137 -0.483 . . . . 0.28 111.128 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.87 -42.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.27 0.47 . . . . 0.34 112.27 -174.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 2.49 111.393 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.34 57.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 1.42 111.194 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.54 49.59 16.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.117 -0.947 . . . . 1.79 111.515 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 19' ' ' ILE . 5.7 mm-40 -80.07 -7.53 58.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.659 -0.701 . . . . 1.83 109.88 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -130.55 154.18 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.578 -0.737 . . . . 0.36 109.758 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -60.24 159.03 10.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.296 0.373 . . . . 1.45 111.57 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.58 -54.81 23.63 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.085 0.772 . . . . 1.87 113.085 -171.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.66 -37.67 88.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.162 0.506 . . . . 1.85 110.441 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.92 -44.6 97.18 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.786 -0.721 . . . . 0.31 111.525 176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.53 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.547 0.213 . . . . 0.24 111.204 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.67 -41.08 97.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 1.46 110.354 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 m -64.18 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.809 -0.632 . . . . 0.92 110.97 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -76.65 -35.22 58.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.687 0.28 . . . . 0.21 110.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -60.21 -46.31 90.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.21 110.857 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 m -73.69 -27.53 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.25 110.578 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.41 -49.56 73.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.352 -0.385 . . . . 0.18 110.232 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.4 mtm -59.21 -34.78 72.58 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.118 -0.492 . . . . 0.21 110.921 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.03 -43.9 94.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.68 110.441 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.51 -38.56 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 0.26 110.872 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 36' ' ' ALA . 77.6 mt -66.05 -40.87 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.456 0.646 . . . . 0.16 109.743 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.34 -45.82 92.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.961 -1.018 . . . . 1.13 110.182 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.77 -34.07 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 2.23 111.314 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.41 71.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.258 -0.428 . . . . 0.25 111.877 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 99.1 m-85 -99.35 -4.67 31.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.055 0.455 . . . . 1.15 112.122 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.15 52.07 44.46 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.768 -0.651 . . . . 0.43 113.26 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 13.8 p90 -136.4 172.91 12.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.857 0.328 . . . . 1.27 110.323 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 28.4 mm-40 -107.13 150.45 26.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.02 -0.363 . . . . 1.92 110.02 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.533 ' NH1' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -80.22 -14.25 58.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 2.57 110.175 -173.144 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -80.22 -22.12 42.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 2.23 110.887 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -85.21 2.41 43.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 0.48 111.782 -177.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.6 m -53.73 -46.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.403 0.52 . . . . 0.41 112.403 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.74 -49.16 78.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 1.24 111.022 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.43 -38.15 78.21 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.634 -0.712 . . . . 0.59 113.24 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 50' ' ' ALA . 63.1 mt -76.57 -43.31 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 0.57 110.769 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 59.2 mt -60.56 -37.55 81.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.17 -0.468 . . . . 0.65 111.076 178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.51 -13.32 58.35 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.896 -0.668 . . . . 0.91 112.872 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' ILE . 6.0 tppp? -90.33 -29.9 17.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.763 0.316 . . . . 2.22 110.564 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 t -123.23 112.14 17.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.829 0.347 . . . . 1.94 111.391 -173.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -80.87 -11.23 59.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 5.07 110.313 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 67.84 -73.16 0.09 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.752 0.821 . . . . 2.78 110.954 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -163.81 34.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.584 0.707 . . . . 6.17 109.677 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.41 54.8 0.77 Allowed Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.559 -0.746 . . . . 3.3 111.988 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.42 126.3 26.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.562 0.696 . . . . 4.2 111.226 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -132.32 115.62 15.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.543 -0.753 . . . . 7.06 109.325 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 71' ' ' SER . 4.7 mp -88.66 121.9 31.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.053 -0.521 . . . . 6.82 109.923 -176.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 178.2 -61.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.424 -0.807 . . . . 3.2 109.213 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.3 -26.36 38.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.418 -0.81 . . . . 5.67 109.847 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.513 HG22 ' H ' ' A' ' 70' ' ' ASN . 11.1 mt -83.32 130.75 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.571 -0.74 . . . . 3.35 109.492 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.4 mt -73.23 -1.61 18.45 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.084 0.469 . . . . 3.56 111.213 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.513 ' H ' HG22 ' A' ' 68' ' ' ILE . 10.4 t30 -71.74 0.42 8.92 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.919 -0.582 . . . . 2.26 110.652 176.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.569 ' HA ' HD23 ' A' ' 65' ' ' LEU . 2.9 p -56.24 -28.07 57.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 3.22 111.873 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.166 -0.921 . . . . 4.3 111.128 177.235 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 121.212 0.529 . . . . 7.31 110.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 21.5 m -131.6 178.46 5.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.859 -0.61 . . . . 5.19 109.834 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.96 36.4 1.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.381 1.086 . . . . 5.72 108.196 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p -77.87 -171.39 2.25 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 113.996 -1.457 . . . . 2.88 111.423 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.22 174.77 10.47 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.563 -0.532 . . . . 1.46 109.563 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 28.5 m -99.49 136.61 39.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.73 -0.47 . . . . 1.49 109.73 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -65.01 -29.4 70.32 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.775 -0.648 . . . . 1.14 112.128 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.71 -44.1 82.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.14 0.495 . . . . 2.11 110.27 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.563 -0.744 . . . . 1.68 110.701 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.98 -40.1 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 0.96 110.434 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.15 -40.96 78.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.586 -0.279 . . . . 0.24 111.014 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.174 -0.466 . . . . 0.33 110.542 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.78 -45.41 93.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.84 -0.618 . . . . 1.56 109.589 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.26 -47.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.391 -0.822 . . . . 0.24 112.132 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.39 -36.11 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.529 -0.468 . . . . 0.18 110.923 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -63.4 -36.94 85.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.344 0.593 . . . . 0.57 109.873 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.556 ' O ' HG12 ' B' ' 19' ' ' ILE . 67.0 t80 -59.91 -53.26 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.231 -0.895 . . . . 1.39 110.549 176.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -64.61 -32.47 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.57 -0.286 . . . . 1.04 110.96 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.9 m -60.22 -50.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.715 -0.476 . . . . 0.9 109.715 175.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.7 t -56.7 -33.39 66.41 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.169 0.509 . . . . 0.84 110.724 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.556 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.8 mm -71.99 -51.77 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.151 -0.477 . . . . 0.28 111.153 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.27 -41.95 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.233 0.457 . . . . 0.34 112.233 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.23 -37.94 87.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 2.49 111.425 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.27 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.432 . . . . 1.41 111.21 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.5 50.17 15.18 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.123 -0.944 . . . . 1.79 111.533 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' B' ' 19' ' ' ILE . 5.7 mm-40 -80.44 -7.7 59.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.741 -0.663 . . . . 1.84 109.796 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -130.32 154.21 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.755 . . . . 0.36 109.724 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -60.47 159.11 10.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.452 -0.34 . . . . 1.47 111.709 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.24 -54.68 23.45 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.15 0.796 . . . . 1.87 113.15 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.04 -37.73 88.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.089 0.471 . . . . 1.84 110.472 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.42 97.46 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.775 -0.726 . . . . 0.3 111.582 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.83 -45.39 86.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.564 0.221 . . . . 0.24 111.283 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.71 -41.1 97.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 1.47 110.341 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 46.3 m -64.13 -31.49 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.69 -0.686 . . . . 0.92 110.86 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.58 -35.24 58.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.323 . . . . 0.21 110.681 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -60.33 -46.33 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.21 110.791 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 20.8 m -73.66 -27.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.26 110.563 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.417 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.64 -49.48 73.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.381 -0.372 . . . . 0.18 110.131 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -59.14 -34.98 72.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.156 -0.474 . . . . 0.21 110.926 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.98 -43.96 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 1.68 110.397 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.0 m -67.59 -38.37 83.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 0.27 111.004 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 36' ' ' ALA . 77.6 mt -66.1 -40.87 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.16 109.815 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.1 -46.07 90.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 1.13 110.151 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.67 -34.05 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 2.23 111.256 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.3 71.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.25 111.919 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.431 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 99.1 m-85 -99.56 -4.6 30.79 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.026 0.38 . . . . 1.15 112.026 -174.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.02 52.15 44.34 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.43 113.231 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 14.0 p90 -136.36 173.11 12.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.832 0.316 . . . . 1.27 110.274 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.53 ' HA ' ' NH1' ' B' ' 48' ' ' ARG . 28.3 mm-40 -107.22 150.45 26.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.031 -0.359 . . . . 1.92 110.031 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.53 ' NH1' ' HA ' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -80.2 -14.3 58.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 2.57 110.118 -173.088 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -80.2 -22.07 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.347 -0.388 . . . . 2.24 111.071 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -85.29 2.25 44.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 0.48 111.613 -176.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 15.6 m -53.67 -46.23 61.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 112.407 0.521 . . . . 0.41 112.407 -177.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.68 -49.45 77.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.847 0.356 . . . . 1.25 110.899 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -38.38 75.67 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.802 -0.636 . . . . 0.59 113.276 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 50' ' ' ALA . 63.2 mt -76.39 -43.17 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 0.57 110.817 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 60.2 mt -60.65 -37.6 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.171 -0.468 . . . . 0.65 111.117 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.67 -12.96 58.06 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.92 -0.657 . . . . 0.91 112.895 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' B' ' 54' ' ' ILE . 6.0 tppp? -90.86 -29.25 17.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.811 0.339 . . . . 2.21 110.664 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 10.3 t -123.64 112.3 17.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.987 0.422 . . . . 1.94 111.435 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -81.0 -11.32 59.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 5.06 110.254 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 67.87 -73.18 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.763 0.825 . . . . 2.78 110.937 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -163.75 34.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.48 0.657 . . . . 6.16 109.596 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.23 54.84 0.78 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.61 -0.723 . . . . 3.3 112.06 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.39 126.18 26.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.552 0.692 . . . . 4.2 111.193 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -132.0 115.68 16.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.448 -0.797 . . . . 7.07 109.319 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.57 HD23 ' HA ' ' B' ' 71' ' ' SER . 4.7 mp -88.79 121.88 31.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.206 -0.452 . . . . 6.83 109.924 -176.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 178.75 -62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.262 -0.881 . . . . 3.2 109.013 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.55 -26.35 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.387 -0.824 . . . . 5.67 109.849 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.519 HG22 ' H ' ' B' ' 70' ' ' ASN . 11.2 mt -83.14 131.01 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.701 -0.681 . . . . 3.35 109.395 176.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -73.42 -1.57 18.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.32 0.581 . . . . 3.55 111.249 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.519 ' H ' HG22 ' B' ' 68' ' ' ILE . 10.7 t30 -71.76 0.34 9.16 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.762 -0.654 . . . . 2.27 110.656 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.57 ' HA ' HD23 ' B' ' 65' ' ' LEU . 2.9 p -56.21 -28.4 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.05 -0.523 . . . . 3.23 111.679 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.188 -0.91 . . . . 4.3 111.291 177.372 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 110.397 -0.223 . . . . 7.31 110.397 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 14.3 p -165.6 159.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.997 -0.371 . . . . 5.19 109.997 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -151.25 60.89 0.9 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.05 -1.093 . . . . 5.73 108.05 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -102.32 173.51 6.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.373 -0.831 . . . . 2.89 110.403 -173.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.3 157.14 34.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.952 -0.567 . . . . 1.46 109.879 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 p -110.83 157.35 19.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.517 -0.31 . . . . 1.49 110.7 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 15.0 pttm -50.69 -38.72 48.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.113 0.412 . . . . 1.14 112.113 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.53 -54.43 47.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.203 0.525 . . . . 2.11 110.96 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.4 -43.68 98.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 1.68 111.003 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.482 HG13 ' CZ ' ' B' ' 15' ' ' TYR . 47.9 mm -66.68 -49.59 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.846 -0.615 . . . . 0.96 110.674 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.38 69.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.602 -0.272 . . . . 0.25 111.305 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.14 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.33 110.862 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 1.56 109.7 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.458 HG23 HD13 ' B' ' 12' ' ' ILE . 66.3 mt -59.07 -57.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 0.25 112.003 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.12 -33.05 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 0.18 110.805 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.95 -42.42 98.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.57 110.399 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' B' ' 8' ' ' ILE . 47.5 t80 -66.89 -44.77 79.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.571 . . . . 1.4 111.052 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.68 -34.34 78.07 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.853 -0.339 . . . . 1.05 110.55 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.8 m -62.46 -33.9 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.9 110.355 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 m -71.99 -40.59 68.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.408 -0.36 . . . . 0.84 110.405 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.431 HG23 ' HB2' ' A' ' 24' ' ' GLU . 39.9 mm -60.24 -50.35 80.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.28 111.315 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.78 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.544 -0.298 . . . . 0.34 110.996 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.35 -42.76 98.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 2.49 111.297 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -86.07 -1.18 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 1.42 110.936 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.75 40.74 12.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.52 -0.764 . . . . 1.79 110.661 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 19.5 mm-40 -72.7 -14.37 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.158 -0.928 . . . . 1.83 111.192 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.4 tt -133.0 145.66 33.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.193 -0.458 . . . . 0.36 109.822 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 163.78 8.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 1.45 111.732 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -52.66 -48.57 66.37 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.475 0.546 . . . . 1.87 112.475 -171.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.25 -45.45 93.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.079 0.466 . . . . 1.85 110.148 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.03 97.76 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.31 111.961 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.537 0.208 . . . . 0.24 111.39 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.89 -38.14 87.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.391 . . . . 1.46 110.485 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.58 -36.56 84.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.901 -0.591 . . . . 0.92 110.276 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.95 -34.98 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 0.21 110.431 175.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.21 110.729 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 m -71.21 -30.42 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.495 -0.32 . . . . 0.25 110.547 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.77 -51.9 65.32 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.516 -0.311 . . . . 0.18 110.52 176.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.5 mtm -58.87 -36.12 74.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.427 -0.351 . . . . 0.21 111.051 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.03 -49.03 79.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 1.68 110.364 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.26 111.143 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 36' ' ' ALA . 84.6 mt -63.76 -47.59 90.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 0.16 110.306 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.509 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 15.8 m -63.72 -39.3 93.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.718 -0.674 . . . . 1.13 110.257 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.95 -49.18 78.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 2.23 110.825 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.01 59.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.538 -0.755 . . . . 0.25 112.233 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 90.3 m-85 -89.79 -4.15 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.958 0.409 . . . . 1.15 111.583 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.61 48.95 53.59 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.817 -0.629 . . . . 0.43 113.484 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.2 p90 -135.03 171.49 14.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.972 0.415 . . . . 1.27 110.885 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -101.97 153.04 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 1.92 109.715 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -79.26 -16.09 56.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.198 0.523 . . . . 2.57 110.189 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.18 -15.04 48.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.677 -0.692 . . . . 2.23 110.327 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.99 -0.34 56.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.868 -0.605 . . . . 0.48 111.394 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 m -50.27 -42.12 20.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.41 112.137 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -61.22 -48.95 79.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.927 0.394 . . . . 1.24 110.875 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.66 -42.01 83.73 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.481 -0.782 . . . . 0.59 112.939 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.1 mt -74.1 -46.34 45.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.776 0.288 . . . . 0.57 110.81 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 75.3 mt -57.83 -42.23 83.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.21 -0.45 . . . . 0.65 111.362 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.83 -30.6 63.21 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.828 -0.701 . . . . 0.91 113.073 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -77.85 -29.91 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 2.22 110.792 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.2 p -75.64 163.24 27.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.978 0.418 . . . . 1.94 110.614 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -79.63 1.1 27.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 5.07 110.742 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -79.66 75.52 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.24 0.543 . . . . 2.78 110.584 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -110.88 -41.33 4.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.417 -0.81 . . . . 6.17 109.739 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.48 -11.52 58.14 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.502 -0.639 . . . . 3.3 111.502 175.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 65.52 -149.8 0.24 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.886 0.475 . . . . 4.2 110.945 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -76.32 -63.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.948 -0.76 . . . . 7.06 108.948 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.3 mt -151.89 147.81 27.04 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.093 -0.706 . . . . 6.82 109.093 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 66.06 -172.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.778 0.674 . . . . 3.2 111.809 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.3 -27.91 38.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.359 -0.382 . . . . 5.67 110.862 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.9 mt 62.91 131.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.136 -0.938 . . . . 3.35 111.745 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.32 -34.46 73.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 114.973 -1.012 . . . . 3.56 112.78 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -87.1 -40.67 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 2.26 111.872 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m -71.62 149.4 45.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.182 -0.463 . . . . 3.22 111.165 -173.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.285 -0.864 . . . . 4.3 110.333 -177.766 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.214 -0.291 . . . . 7.31 110.214 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 14.5 p -165.79 159.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 110.048 -0.353 . . . . 5.19 110.048 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -150.93 60.75 0.92 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.095 -1.076 . . . . 5.72 108.095 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -101.88 173.66 6.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.421 -0.809 . . . . 2.88 110.429 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.28 157.33 34.18 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.836 -0.62 . . . . 1.46 109.797 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 32.5 p -111.3 157.59 19.99 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.312 -0.404 . . . . 1.49 110.59 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.451 ' HB2' ' CE1' ' B' ' 44' ' ' PHE . 15.1 pttm -50.98 -38.74 52.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.143 0.424 . . . . 1.14 112.143 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -58.6 -54.41 47.41 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.158 0.504 . . . . 2.11 110.99 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.17 -43.79 98.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.321 -0.854 . . . . 1.68 111.005 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.515 HG13 ' CZ ' ' A' ' 15' ' ' TYR . 47.9 mm -66.68 -49.47 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 0.96 110.772 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.35 -37.26 69.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.518 -0.31 . . . . 0.24 111.352 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.12 71.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.33 110.748 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.25 -38.57 91.68 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.68 -0.489 . . . . 1.56 109.68 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.458 HD13 HG23 ' A' ' 12' ' ' ILE . 66.4 mt -59.08 -57.22 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.797 -0.638 . . . . 0.24 112.022 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.04 -33.16 61.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.772 -0.371 . . . . 0.18 110.742 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.57 110.385 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.482 ' CZ ' HG13 ' A' ' 8' ' ' ILE . 47.4 t80 -66.89 -44.94 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 1.39 110.967 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.56 -34.25 77.8 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.834 -0.346 . . . . 1.04 110.64 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 m -62.81 -33.39 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.9 110.452 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.0 m -72.1 -40.89 67.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 0.84 110.446 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.433 HG23 ' HB2' ' B' ' 24' ' ' GLU . 40.0 mm -60.14 -50.26 80.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 0.28 111.367 -178.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.76 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.558 -0.292 . . . . 0.34 111.09 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.42 -42.68 98.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 2.49 111.199 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -85.82 -1.95 57.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 1.41 110.914 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 62.14 40.82 11.44 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.57 -0.741 . . . . 1.79 110.688 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.433 ' HB2' HG23 ' B' ' 19' ' ' ILE . 19.1 mm-40 -72.85 -14.36 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.186 -0.916 . . . . 1.84 111.186 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.14 145.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.129 -0.487 . . . . 0.36 109.851 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -62.35 164.11 7.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.47 111.812 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -52.83 -48.71 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.459 0.54 . . . . 1.87 112.459 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.97 -45.4 93.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.129 0.49 . . . . 1.84 110.168 -176.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.97 97.41 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.579 -0.737 . . . . 0.3 111.942 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.44 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.571 0.224 . . . . 0.24 111.348 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.03 -38.29 88.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.926 0.393 . . . . 1.47 110.563 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.23 -36.88 85.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.85 -0.613 . . . . 0.92 110.193 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.72 -35.05 72.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 0.21 110.477 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.77 -49.55 77.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.21 110.773 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.27 -30.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 0.26 110.639 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.504 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.97 -52.11 64.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.491 -0.322 . . . . 0.18 110.432 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.4 mtm -58.62 -36.25 73.76 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.443 -0.344 . . . . 0.21 111.021 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.15 -48.86 79.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 1.68 110.309 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.61 -37.39 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.27 111.102 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 36' ' ' ALA . 84.5 mt -63.86 -47.54 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 0.16 110.264 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.516 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.7 m -63.78 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 1.13 110.256 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.11 -48.94 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.698 -0.683 . . . . 2.23 110.865 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.93 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.579 -0.737 . . . . 0.25 112.219 -175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 90.5 m-85 -89.72 -4.42 57.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 1.15 111.538 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.77 48.93 52.68 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.43 113.427 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 19.0 p90 -134.87 171.91 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.203 0.501 . . . . 1.27 110.728 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.13 153.07 20.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 1.92 109.724 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -79.3 -16.16 56.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.145 0.498 . . . . 2.57 110.172 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -84.17 -15.16 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.686 -0.688 . . . . 2.24 110.223 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.98 -0.39 56.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.48 111.429 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.538 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 26.1 m -50.16 -42.27 19.68 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.41 112.092 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.5 p -61.14 -48.9 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.01 0.434 . . . . 1.25 110.856 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.83 84.8 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.59 112.977 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 32.3 mt -74.1 -46.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.57 110.838 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 75.4 mt -57.89 -42.09 83.95 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.142 -0.481 . . . . 0.65 111.343 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.99 -30.24 63.25 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.897 -0.668 . . . . 0.91 113.161 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -78.22 -29.6 48.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.815 0.34 . . . . 2.21 110.831 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 87.0 p -75.9 162.99 27.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 1.94 110.691 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.3 0.93 26.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.902 -0.59 . . . . 5.06 110.822 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -79.48 75.68 6.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.221 0.534 . . . . 2.78 110.463 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -111.27 -40.67 4.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.519 -0.764 . . . . 6.16 109.769 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.17 -11.3 57.61 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.789 -0.641 . . . . 3.3 111.599 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 65.34 -149.85 0.25 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 122.959 0.504 . . . . 4.2 110.825 174.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -76.68 -63.11 1.42 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.962 -0.755 . . . . 7.07 108.962 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 80.5 mt -152.13 147.8 26.88 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.227 -0.657 . . . . 6.83 109.227 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 66.06 -172.47 0.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.677 0.611 . . . . 3.2 111.756 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -80.1 -27.95 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.237 -0.438 . . . . 5.67 110.942 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.41 HG22 ' H ' ' B' ' 70' ' ' ASN . 42.9 mt 62.88 130.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.89 0.852 . . . . 3.35 111.807 -174.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 99.4 mt -60.61 -33.37 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.984 -1.007 . . . . 3.55 112.851 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.41 ' H ' HG22 ' B' ' 68' ' ' ILE . 3.0 t-20 -87.99 -40.68 13.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 2.27 111.93 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 20.7 m -71.57 149.35 45.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.225 -0.443 . . . . 3.23 111.202 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.393 -0.813 . . . . 4.3 110.484 -177.618 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 121.152 0.501 . . . . 7.31 109.935 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' VAL . . . . . 0.521 HG12 ' OG ' ' A' ' 4' ' ' SER . 3.0 p -179.68 171.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 107.926 -1.138 . . . . 5.19 107.926 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.446 ' H ' HG22 ' A' ' 0' ' ' VAL . 38.5 t70 -111.78 -17.95 12.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.423 0.63 . . . . 5.73 110.891 -172.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.61 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 28.6 t -93.18 29.88 1.79 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.494 -0.776 . . . . 2.89 110.335 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 75.41 127.07 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.283 -0.872 . . . . 1.46 110.284 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.521 ' OG ' HG12 ' A' ' 0' ' ' VAL . 15.7 m -92.5 148.5 22.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.141 -0.481 . . . . 1.49 110.22 -172.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -56.16 -32.2 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.812 -0.631 . . . . 1.14 111.195 176.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -63.97 -47.28 81.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.029 0.442 . . . . 2.11 110.303 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.38 -43.9 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.394 -0.821 . . . . 1.68 110.39 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 12' ' ' ILE . 44.5 mm -63.73 -51.81 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.595 -0.729 . . . . 0.96 110.152 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.54 72.82 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.302 -0.408 . . . . 0.25 111.565 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.21 78.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.33 110.618 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -38.07 89.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.539 -0.541 . . . . 1.56 109.539 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.514 HD13 HG23 ' B' ' 12' ' ' ILE . 66.4 mt -58.76 -57.31 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 0.25 112.067 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.54 -37.76 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.18 110.854 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -63.17 -34.63 78.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.57 110.722 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.421 ' O ' HG12 ' A' ' 19' ' ' ILE . 69.6 t80 -68.53 -46.05 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 1.4 110.749 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -65.08 -34.09 77.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 1.05 110.667 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -61.95 -33.15 73.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 0.9 109.958 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.515 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.3 t -73.73 -43.36 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.84 110.122 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 15' ' ' TYR . 47.3 mm -60.07 -44.74 95.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.255 -0.43 . . . . 0.28 111.37 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.11 -33.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.598 0.237 . . . . 0.34 111.001 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.46 -45.95 85.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.923 0.392 . . . . 2.49 110.85 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.515 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.3 mttm -78.03 -6.78 55.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 1.42 110.817 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 56.99 39.01 29.67 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.072 -0.967 . . . . 1.79 111.486 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 36.9 mt-10 -77.55 -5.66 50.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.83 111.082 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.87 146.28 31.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.858 -0.423 . . . . 0.36 109.858 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -54.63 150.12 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 1.45 111.498 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -51.37 -49.48 61.41 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.51 0.559 . . . . 1.87 112.51 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.72 -41.96 99.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 1.85 110.357 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.81 99.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.31 111.839 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.05 82.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 0.24 111.02 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.09 -38.68 89.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 1.46 110.512 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -64.05 -32.35 73.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.92 110.332 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.1 mt -73.16 -35.91 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.21 110.521 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -58.32 -50.14 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.21 110.712 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.02 -29.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 0.25 110.584 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.83 -50.44 68.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.444 -0.344 . . . . 0.18 110.531 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.46 -40.68 75.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.21 111.472 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.61 -40.33 96.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 1.68 110.856 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.17 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.26 110.379 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.1 mt -70.89 -48.19 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.16 111.09 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.602 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 12.1 p -61.71 -43.52 98.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.348 . . . . 1.13 111.049 -177.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 2.23 110.768 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.67 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.25 111.603 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -90.55 -2.95 57.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 1.15 111.195 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.31 57.22 7.71 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.686 -0.688 . . . . 0.43 113.005 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 25.3 p90 -144.04 167.19 22.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.84 0.352 . . . . 1.27 110.365 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -99.75 153.05 19.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.14 -0.482 . . . . 1.92 109.738 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -80.13 -18.87 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.981 0.42 . . . . 2.57 110.12 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -85.92 -13.35 48.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.024 -0.535 . . . . 2.23 110.878 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.69 2.42 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.48 110.942 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.1 m -49.84 -46.5 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.71 -0.677 . . . . 0.41 112.81 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.6 t -59.98 -45.6 92.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 1.24 110.831 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.77 83.89 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.962 -0.563 . . . . 0.59 112.828 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.72 -42.36 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.947 0.403 . . . . 0.57 110.299 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 87.2 mt -56.41 -31.77 64.21 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.869 -0.605 . . . . 0.65 111.647 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.43 -19.24 5.89 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 121.184 -0.531 . . . . 0.91 114.274 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -75.31 -27.46 59.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.393 0.596 . . . . 2.22 111.201 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.8 p -150.76 110.83 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.164 0.507 . . . . 1.94 111.017 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.01 -12.51 59.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 5.07 110.267 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 24.4 m-85 70.22 -73.81 0.09 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.44 -0.8 . . . . 2.78 110.256 -178.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 88.0 tttt 159.56 -46.38 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.308 1.043 . . . . 6.17 109.667 174.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.2 -5.94 6.01 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.252 -0.885 . . . . 3.3 111.144 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 65.06 -168.23 0.21 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.768 0.427 . . . . 4.2 110.864 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -71.61 -68.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.235 -0.654 . . . . 7.06 109.235 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 mp -135.12 121.42 20.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.906 -0.588 . . . . 6.82 109.617 174.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.605 ' HA ' ' O ' ' B' ' 2' ' ' SER . . . -167.59 146.08 4.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.728 -0.669 . . . . 3.2 109.252 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.0 -63.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.554 -0.458 . . . . 5.67 110.771 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 13.9 mt 43.89 39.84 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.75 0.786 . . . . 3.35 111.27 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.27 -8.99 58.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.426 0.631 . . . . 3.56 110.159 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -88.24 -6.14 57.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.966 -1.016 . . . . 2.26 111.058 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.8 t -114.66 171.44 7.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.729 0.299 . . . . 3.22 110.44 -176.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.395 -0.812 . . . . 4.3 110.033 178.839 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 121.25 0.548 . . . . 7.31 109.846 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' VAL . . . . . 0.528 HG12 ' OG ' ' B' ' 4' ' ' SER . 2.9 p -179.39 171.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 107.999 -1.112 . . . . 5.19 107.999 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.449 ' H ' HG22 ' B' ' 0' ' ' VAL . 38.5 t70 -112.06 -18.69 12.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.393 0.616 . . . . 5.72 110.918 -172.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.605 ' O ' ' HA ' ' A' ' 66' ' ' ALA . 28.4 t -92.55 29.91 1.63 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.43 -0.805 . . . . 2.88 110.449 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 75.61 127.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.274 -0.876 . . . . 1.46 110.242 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.528 ' OG ' HG12 ' B' ' 0' ' ' VAL . 16.1 m -92.63 148.56 21.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.141 -0.482 . . . . 1.49 110.328 -172.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 12.5 pttm -56.06 -32.38 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.69 -0.686 . . . . 1.14 111.153 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -64.04 -47.17 81.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.046 0.45 . . . . 2.11 110.338 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -60.44 -44.01 96.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.345 -0.843 . . . . 1.68 110.373 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.45 ' O ' HG13 ' B' ' 12' ' ' ILE . 44.1 mm -63.6 -51.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 0.96 110.206 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.54 72.55 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.336 -0.393 . . . . 0.24 111.603 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.13 78.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 0.33 110.601 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.06 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.432 -0.581 . . . . 1.56 109.432 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 12' ' ' ILE . 67.0 mt -58.6 -57.38 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.529 -0.759 . . . . 0.24 112.136 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.67 -37.55 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.44 . . . . 0.18 110.824 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -63.31 -34.6 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 0.57 110.742 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.419 ' O ' HG12 ' B' ' 19' ' ' ILE . 69.6 t80 -68.45 -46.11 70.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 1.39 110.718 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.09 -34.08 77.56 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.954 -0.298 . . . . 1.04 110.637 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 29.8 t -61.85 -33.25 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 0.9 109.859 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.514 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 23.0 t -73.86 -43.3 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.899 -0.591 . . . . 0.84 110.184 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 15' ' ' TYR . 47.6 mm -59.91 -44.93 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.28 111.417 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.03 -33.64 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.124 -0.23 . . . . 0.34 111.117 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.38 -46.29 83.97 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 2.49 110.831 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.514 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.1 mttm -77.81 -6.61 54.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.965 0.412 . . . . 1.41 110.752 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.88 39.12 29.7 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.134 -0.939 . . . . 1.79 111.347 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.52 -5.6 50.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 1.84 111.135 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.73 146.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.44 . . . . 0.36 109.945 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.63 149.96 10.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 1.47 111.44 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -51.24 -49.86 60.3 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.537 0.569 . . . . 1.87 112.537 -171.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.31 -42.19 99.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 1.84 110.413 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.84 99.75 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.3 111.803 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.12 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 0.24 111.102 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.06 -38.65 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 1.47 110.495 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -63.96 -32.45 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.87 -0.605 . . . . 0.92 110.375 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.13 -35.83 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.608 0.242 . . . . 0.21 110.478 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -58.37 -50.15 74.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.21 110.779 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.97 -29.94 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 0.26 110.675 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.65 -50.38 69.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.18 110.569 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.54 -40.8 75.72 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.149 -0.478 . . . . 0.21 111.467 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.61 -40.29 96.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 1.68 110.762 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -35.38 80.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.42 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 36' ' ' ALA . 82.3 mt -70.96 -47.98 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.16 111.068 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.607 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 11.0 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.496 -0.32 . . . . 1.13 111.131 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.9 -31.57 70.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 2.23 110.748 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.54 -51.75 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.688 0.28 . . . . 0.25 111.664 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -90.63 -2.65 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 1.15 111.288 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.03 57.37 7.78 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.536 -0.756 . . . . 0.43 113.029 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.607 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 25.2 p90 -144.43 166.48 25.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.89 0.345 . . . . 1.27 110.374 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -99.16 153.1 19.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 1.92 109.81 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -80.19 -18.65 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.005 0.431 . . . . 2.57 110.14 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -86.5 -12.61 48.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 2.24 110.874 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.1 2.38 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 0.48 111.042 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.0 m -49.85 -46.19 22.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 112.879 0.696 . . . . 0.41 112.879 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.4 t -60.4 -45.53 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 1.25 110.69 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.96 83.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.59 112.765 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 25.1 mt -74.56 -42.34 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.983 0.42 . . . . 0.57 110.291 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.8 mt -56.56 -31.79 64.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.874 -0.603 . . . . 0.65 111.716 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.98 -19.89 5.81 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 121.222 -0.513 . . . . 0.91 114.226 174.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -74.94 -27.71 60.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 117.472 0.636 . . . . 2.21 111.173 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.6 p -150.45 111.07 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.276 0.56 . . . . 1.94 110.92 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -81.08 -12.44 59.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 5.06 110.259 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' B' ' 61' ' ' LYS . 24.4 m-85 70.22 -73.89 0.09 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.589 -0.732 . . . . 2.78 110.274 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 88.0 tttt 159.61 -46.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.247 1.019 . . . . 6.16 109.768 173.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.4 -5.95 5.94 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.219 -0.9 . . . . 3.3 111.141 -173.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 64.93 -168.5 0.21 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.852 0.461 . . . . 4.2 110.862 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -71.31 -69.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.253 -0.647 . . . . 7.07 109.253 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mp -134.84 121.8 21.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.87 -0.605 . . . . 6.83 109.591 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.61 ' HA ' ' O ' ' A' ' 2' ' ' SER . . . -168.02 145.88 4.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.672 -0.695 . . . . 3.2 109.333 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.73 -63.09 1.21 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.471 -0.491 . . . . 5.67 110.753 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 14.2 mt 43.84 39.83 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-O 121.703 0.763 . . . . 3.35 111.228 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.22 -8.85 58.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.549 0.69 . . . . 3.55 110.116 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -88.32 -6.22 57.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.066 -0.97 . . . . 2.27 111.045 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -114.54 171.86 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.528 -0.306 . . . . 3.23 110.505 -176.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.597 -0.716 . . . . 4.3 109.902 178.788 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.609 ' HE3' ' O ' ' B' ' 24' ' ' GLU . 14.6 pttm . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 112.195 0.443 . . . . 1.14 112.195 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -61.13 -56.99 14.46 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.014 0.435 . . . . 2.11 110.978 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -57.73 -44.39 85.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.526 -0.761 . . . . 1.68 110.903 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' HG13 ' A' ' 12' ' ' ILE . 39.0 mm -64.03 -47.82 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 0.96 110.765 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.33 -41.63 72.69 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 111.763 0.283 . . . . 0.25 111.763 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.92 92.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.058 0.456 . . . . 0.33 110.769 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.52 -41.27 98.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.849 -0.614 . . . . 1.56 109.38 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.518 HD13 HG23 ' B' ' 12' ' ' ILE . 74.8 mt -59.8 -56.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.136 -0.938 . . . . 0.25 112.19 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.31 -37.39 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.725 -0.39 . . . . 0.18 111.173 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.81 -33.25 74.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.894 0.378 . . . . 0.57 110.451 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.447 ' O ' HG12 ' A' ' 19' ' ' ILE . 79.4 t80 -65.25 -50.02 67.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 1.4 110.514 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' HB2' ' SD ' ' A' ' 37' ' ' MET . 28.8 m-85 -65.2 -33.78 76.81 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.992 -0.283 . . . . 1.05 110.729 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -62.94 -31.89 73.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.9 110.033 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.482 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 16.9 t -76.56 -38.59 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 0.84 110.21 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 15' ' ' TYR . 46.2 mm -62.08 -43.96 98.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.256 -0.429 . . . . 0.28 111.01 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -75.89 -28.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.678 0.275 . . . . 0.34 110.495 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.68 -54.57 45.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.416 0.627 . . . . 2.49 110.339 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.482 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 48.3 mttm -82.1 -3.51 54.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.277 -0.874 . . . . 1.42 110.782 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 56.94 41.67 27.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.964 -1.016 . . . . 1.79 111.458 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.613 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 30.9 mt-10 -75.71 -3.99 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 1.83 111.003 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.8 150.91 35.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 0.36 110.049 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -56.57 150.63 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.45 110.464 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.42 -27.71 69.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.97 -0.559 . . . . 1.87 111.643 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.71 -46.08 69.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.202 0.525 . . . . 1.85 109.635 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.64 -37.59 93.73 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.499 -0.773 . . . . 0.31 111.562 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.8 79.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.544 0.212 . . . . 0.24 111.232 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.38 -45.75 90.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.46 110.472 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 m -61.63 -34.14 75.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.92 110.842 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.92 -40.47 72.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 0.21 110.829 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -59.83 -48.54 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.21 111.132 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.0 m -70.54 -29.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.857 -0.337 . . . . 0.25 110.513 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.19 -52.72 61.18 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.469 -0.332 . . . . 0.18 110.26 175.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.43 ' SD ' ' HB2' ' A' ' 16' ' ' PHE . 73.8 mtm -58.28 -36.83 73.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.21 110.801 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.21 -44.32 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.899 -0.592 . . . . 1.68 110.778 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.1 m -69.42 -34.59 74.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 0.26 110.934 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 36' ' ' ALA . 92.6 mt -64.59 -49.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.127 0.489 . . . . 0.16 109.993 176.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.596 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 17.8 m -64.04 -34.62 78.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.492 -0.776 . . . . 1.13 110.379 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.42 -42.71 99.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.705 . . . . 2.23 110.947 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.73 65.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 0.25 112.159 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.04 -7.74 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.156 0.503 . . . . 1.15 111.852 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.25 57.29 6.94 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.691 -0.686 . . . . 0.43 113.2 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 24.1 p90 -142.07 169.83 16.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.051 0.425 . . . . 1.27 110.532 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.5 152.77 19.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.045 -0.525 . . . . 1.92 109.631 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.06 -16.98 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 2.57 109.897 -172.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -93.44 -4.78 50.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 2.23 110.734 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.27 -0.96 57.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.053 -0.521 . . . . 0.48 110.617 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.82 -36.94 11.9 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 CA-C-N 115.345 -0.843 . . . . 0.41 112.542 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 p -55.47 -56.5 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 1.24 111.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.14 -41.76 61.27 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.698 -0.683 . . . . 0.59 113.45 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.4 mt -75.67 -43.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 0.57 111.297 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 116.425 -0.352 . . . . 0.65 111.042 179.569 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.613 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 14.6 pttm . . . . . 0 CA--C 1.527 0.074 0 N-CA-C 112.176 0.436 . . . . 1.14 112.176 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.33 -56.92 15.01 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.968 0.413 . . . . 2.11 110.994 173.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -57.9 -44.25 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.538 -0.755 . . . . 1.68 110.78 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 12' ' ' ILE . 38.9 mm -64.06 -47.85 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.601 -0.727 . . . . 0.96 110.767 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.41 -41.43 72.72 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 111.746 0.276 . . . . 0.24 111.746 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.79 93.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.136 0.493 . . . . 0.33 110.758 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.649 . . . . 1.56 109.376 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.518 HG23 HD13 ' A' ' 12' ' ' ILE . 74.5 mt -59.91 -56.21 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.156 -0.929 . . . . 0.24 112.14 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.22 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.831 -0.348 . . . . 0.18 111.137 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.91 -33.16 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.57 110.481 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.441 ' O ' HG12 ' B' ' 19' ' ' ILE . 79.3 t80 -65.36 -49.91 67.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 1.39 110.541 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.427 ' HB2' ' SD ' ' B' ' 37' ' ' MET . 28.9 m-85 -65.22 -33.81 76.88 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.957 -0.297 . . . . 1.04 110.731 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -62.92 -31.63 72.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 0.9 110.063 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.479 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 15.0 t -76.98 -38.48 53.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 0.84 110.112 177.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 15' ' ' TYR . 46.0 mm -61.99 -44.12 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.28 110.936 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.83 -28.57 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.511 -0.313 . . . . 0.34 110.487 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.67 -54.49 46.46 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.278 0.561 . . . . 2.49 110.356 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.479 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 48.6 mttm -82.39 -3.3 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.434 -0.803 . . . . 1.41 110.68 -176.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 57.05 41.71 27.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.96 -1.018 . . . . 1.79 111.409 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.609 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 30.7 mt-10 -75.81 -3.82 37.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 1.84 110.985 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.94 150.88 35.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.987 -0.375 . . . . 0.36 109.987 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -56.6 150.49 15.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.47 110.455 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.31 -27.8 69.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.96 -0.564 . . . . 1.87 111.644 -174.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.89 -45.79 70.03 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.682 -0.488 . . . . 1.84 109.682 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.46 93.56 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.3 111.615 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.59 -42.91 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.517 0.198 . . . . 0.24 111.123 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.31 -45.74 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 1.47 110.555 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -34.37 75.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 0.92 110.833 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.99 -40.41 71.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.737 0.303 . . . . 0.21 110.789 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -59.83 -48.61 80.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.21 111.087 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 m -70.45 -29.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 0.26 110.539 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.457 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.43 -52.62 60.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.463 -0.335 . . . . 0.18 110.169 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' B' ' 16' ' ' PHE . 73.9 mtm -58.37 -36.77 73.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.21 110.811 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.44 -43.99 97.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.953 -0.567 . . . . 1.68 110.772 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.0 m -69.65 -34.47 74.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.232 -0.44 . . . . 0.27 110.894 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 36' ' ' ALA . 93.3 mt -64.68 -49.08 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.165 0.507 . . . . 0.16 109.939 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.599 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -64.08 -34.75 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.559 -0.746 . . . . 1.13 110.444 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.42 -42.38 99.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.23 110.847 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -51.45 65.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.877 -0.601 . . . . 0.25 112.036 -176.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -91.26 -7.78 50.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 1.15 111.694 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.08 57.47 6.92 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.43 113.228 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 24.0 p90 -142.12 169.95 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.914 0.357 . . . . 1.27 110.448 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.44 152.91 19.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.955 -0.566 . . . . 1.92 109.557 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.04 -17.43 55.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.218 0.532 . . . . 2.57 109.978 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -93.22 -4.77 51.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.633 -0.712 . . . . 2.24 110.609 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 -0.85 57.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.036 0.446 . . . . 0.48 110.527 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.93 -36.93 12.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 115.409 -0.814 . . . . 0.41 112.628 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.298 . . . . 1.25 111.218 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.03 -41.79 60.25 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.692 -0.685 . . . . 0.59 113.288 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 53.5 mt -75.6 -43.31 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.003 0.43 . . . . 0.57 111.287 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 116.45 -0.341 . . . . 0.65 110.915 179.601 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.536 0.208 . . . . 1.14 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.42 -48.53 80.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.279 0.561 . . . . 2.11 110.02 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 1.68 110.569 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.37 -50.07 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.96 110.274 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.75 72.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.25 111.531 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.09 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.101 0.477 . . . . 0.33 110.542 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.66 -42.12 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.601 -0.727 . . . . 1.56 109.657 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.17 -55.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.019 -0.991 . . . . 0.25 112.303 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.78 -35.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.673 -0.411 . . . . 0.18 111.087 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -61.4 -31.51 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.57 110.456 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -68.55 -47.68 66.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 1.4 110.726 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -65.9 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.796 -0.362 . . . . 1.05 110.696 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -60.78 -34.62 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.128 0.49 . . . . 0.9 109.982 174.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.538 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.8 t -72.54 -45.75 57.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.84 110.34 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -59.16 -44.8 92.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.408 -0.36 . . . . 0.28 111.431 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.57 -33.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.583 -0.28 . . . . 0.34 110.98 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.79 -48.52 78.77 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.962 0.41 . . . . 2.49 110.409 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.9 mttm -76.13 -6.12 49.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 1.42 110.808 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.13 41.83 31.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.964 -1.017 . . . . 1.79 111.571 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.6 -4.87 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.701 -0.682 . . . . 1.83 111.258 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.138 -0.319 . . . . 0.36 110.138 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -58.28 155.68 11.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.644 -0.707 . . . . 1.45 111.725 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.3 -42.85 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.729 0.3 . . . . 1.87 111.704 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.21 -42.77 96.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 1.85 110.084 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -43.43 91.37 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.737 -0.744 . . . . 0.31 111.858 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.42 75.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.668 0.27 . . . . 0.24 111.592 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.11 -39.84 83.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 1.46 110.744 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 m -65.07 -30.69 71.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 0.92 111.07 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.11 -35.49 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 0.21 110.472 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -61.75 -52.07 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.21 110.796 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.2 -31.51 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.972 -0.291 . . . . 0.25 110.447 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.34 -52.14 64.83 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.317 -0.402 . . . . 0.18 110.275 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mtm -56.33 -43.64 79.22 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.388 -0.369 . . . . 0.21 111.898 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.763 -0.199 . . . . 1.68 111.525 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -67.13 -39.96 86.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.26 110.62 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 36' ' ' ALA . 74.2 mt -65.88 -44.8 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.395 0.617 . . . . 0.16 109.965 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 29.7 t -55.4 -53.15 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.979 -1.01 . . . . 1.13 110.802 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.11 -38.53 86.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 2.23 111.099 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.92 52.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.433 . . . . 0.25 111.927 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.425 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 96.6 m-85 -89.4 -8.52 52.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.131 0.419 . . . . 1.15 112.131 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.83 48.78 32.31 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.43 113.048 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 14.7 p90 -137.53 160.75 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.852 -0.425 . . . . 1.27 109.852 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.7 153.99 19.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.261 -0.274 . . . . 1.92 110.261 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.2 -24.23 40.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 2.57 110.032 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.42 -14.67 39.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 2.23 110.745 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.98 0.9 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.48 111.037 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 18.3 m -50.54 -43.88 24.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.41 112.497 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 p -59.75 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 1.24 110.964 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.59 94.22 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.88 -0.6 . . . . 0.59 112.52 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.2 mt -69.24 -49.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.843 0.354 . . . . 0.57 110.719 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 85.9 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.65 111.509 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 120.614 0.245 . . . . 1.14 111.346 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.21 -48.65 80.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.313 0.578 . . . . 2.11 109.962 172.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.09 -40.05 94.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.253 -0.885 . . . . 1.68 110.626 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.26 -50.05 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 0.96 110.252 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.73 72.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.24 111.511 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.05 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.186 0.517 . . . . 0.33 110.521 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.61 -42.15 87.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 1.56 109.598 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.29 -55.57 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.98 -1.009 . . . . 0.24 112.266 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.68 -35.52 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.684 -0.407 . . . . 0.18 111.077 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -61.31 -31.72 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.57 110.436 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -68.37 -47.61 66.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.351 -0.386 . . . . 1.39 110.744 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -65.86 -34.73 78.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.836 -0.346 . . . . 1.04 110.809 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.129 0.49 . . . . 0.9 109.978 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.528 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 22.6 t -72.87 -45.44 58.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 0.84 110.36 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.51 -44.77 93.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.28 111.371 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.43 -33.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.068 -0.253 . . . . 0.34 110.856 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.46 -48.66 78.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 2.49 110.502 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.528 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.8 mttm -76.02 -6.12 49.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 1.41 110.745 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.09 42.3 31.65 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 114.849 -1.069 . . . . 1.79 111.457 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.84 -5.2 52.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 1.84 111.299 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.82 147.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.149 -0.315 . . . . 0.36 110.149 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -58.32 155.83 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.655 -0.702 . . . . 1.47 111.736 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.4 -42.84 70.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.766 0.317 . . . . 1.87 111.559 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.02 -43.14 96.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 1.84 110.08 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.6 91.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.873 -0.679 . . . . 0.3 111.886 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.56 -48.28 75.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.388 0.275 . . . . 0.24 111.616 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.26 -39.88 84.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.858 0.361 . . . . 1.47 110.694 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.8 m -64.84 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 0.92 110.957 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.18 -35.15 61.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.21 110.491 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -62.03 -52.07 65.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 0.21 110.869 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.21 -31.41 53.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 0.26 110.545 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.449 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.44 -52.03 65.16 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.319 -0.401 . . . . 0.18 110.317 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.41 -43.47 79.38 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.378 -0.374 . . . . 0.21 111.774 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.2 -37.72 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.52 0.192 . . . . 1.68 111.52 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 72.7 m -66.76 -40.03 88.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.855 0.36 . . . . 0.27 110.671 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.449 HG13 ' O ' ' B' ' 36' ' ' ALA . 74.1 mt -65.83 -44.8 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.404 0.621 . . . . 0.16 110.018 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 29.3 t -55.56 -53.35 57.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.972 -1.013 . . . . 1.13 110.643 177.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.78 -38.62 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 2.23 111.112 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.94 -53.78 53.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.25 111.822 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 96.5 m-85 -89.44 -8.74 52.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.222 0.453 . . . . 1.15 112.222 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.35 48.29 31.48 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 116.052 -0.522 . . . . 0.43 113.224 176.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 14.8 p90 -137.36 160.59 38.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 1.27 109.918 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -90.64 153.83 20.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.756 0.313 . . . . 1.92 110.176 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -80.06 -24.07 40.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 2.57 110.026 -173.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -87.55 -14.76 39.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 2.24 110.762 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.65 0.63 46.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 0.48 111.031 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 18.1 m -50.44 -43.89 23.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.476 -0.784 . . . . 0.41 112.503 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -59.73 -48.35 82.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 1.25 111.012 -178.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.82 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.728 -0.669 . . . . 0.59 112.533 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.14 -49.58 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.838 0.352 . . . . 0.57 110.613 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 0.65 111.496 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 10.7 ptpp? . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.933 0.397 . . . . 1.14 110.175 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.44 -41.03 85.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.591 -0.731 . . . . 2.11 110.533 175.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.99 -41.53 82.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.026 -0.534 . . . . 1.68 110.746 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.77 -43.0 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.184 -0.462 . . . . 0.96 110.417 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.53 67.86 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.475 -0.33 . . . . 0.25 110.908 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.23 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.33 110.612 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.59 -40.22 82.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.208 0.528 . . . . 1.56 110.809 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.18 -53.14 49.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.245 -0.889 . . . . 0.25 111.96 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.42 -30.94 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.586 -0.446 . . . . 0.18 110.548 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.42 -40.37 86.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.206 0.527 . . . . 0.57 110.129 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.442 ' OH ' ' HA ' ' B' ' 5' ' ' LYS . 48.7 t80 -61.17 -55.23 34.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.514 -0.766 . . . . 1.4 110.878 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.82 -34.6 78.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.394 -0.367 . . . . 1.05 111.013 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.9 m -61.59 -42.13 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 0.9 110.334 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -66.88 -42.13 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.84 110.326 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 24' ' ' GLU . 37.2 mm -60.84 -47.6 92.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.059 -0.519 . . . . 0.28 111.42 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.77 -32.42 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 121.102 -0.239 . . . . 0.34 111.407 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.38 -44.42 97.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.02 0.438 . . . . 2.49 110.778 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 88.7 mttt -83.59 -6.35 59.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 1.42 110.438 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt 55.43 42.61 29.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.927 -1.033 . . . . 1.79 111.286 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' A' ' 22' ' ' LYS . 13.5 mm-40 -70.94 -9.42 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 1.83 110.714 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.7 tt -124.99 149.89 29.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.282 -0.636 . . . . 0.36 109.282 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -60.71 162.19 6.95 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.194 0.309 . . . . 1.45 111.76 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -49.77 -54.22 20.38 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.76 -0.655 . . . . 1.87 112.397 -172.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.58 -43.18 99.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.85 110.997 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.05 98.15 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.933 -0.651 . . . . 0.31 111.982 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.04 75.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 0.24 111.393 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.22 -38.48 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 1.46 110.681 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -65.55 -30.87 71.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 0.92 110.253 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.42 -36.55 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.21 110.499 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -59.18 -50.53 73.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.21 110.904 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -31.95 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.52 -0.309 . . . . 0.25 110.431 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.16 -48.31 78.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.18 110.562 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.17 -43.64 82.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.21 111.889 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.32 -29.88 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.853 -0.339 . . . . 1.68 110.761 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.34 -38.23 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 0.26 109.977 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 36' ' ' ALA . 80.0 mt -63.64 -40.18 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.16 109.368 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -64.53 -41.79 96.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.155 -0.929 . . . . 1.13 110.259 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.18 -21.96 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.913 -0.585 . . . . 2.23 110.957 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.59 23.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.25 111.895 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.431 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 86.3 m-85 -106.62 -12.77 15.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.807 0.669 . . . . 1.15 112.807 -173.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.44 57.03 5.76 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.222 -0.513 . . . . 0.43 112.777 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 6.3 p90 -147.28 164.58 32.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.757 0.278 . . . . 1.27 110.505 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.69 157.93 16.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.288 -0.414 . . . . 1.92 110.022 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -79.82 -13.08 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 2.57 110.272 -176.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.32 -20.76 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 2.23 110.531 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.82 -3.84 49.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.48 111.027 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.4 m -47.04 -48.14 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 115.525 -0.761 . . . . 0.41 112.692 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 p -60.47 -44.74 95.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 1.24 111.217 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.76 -42.64 91.67 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.59 112.537 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.44 -49.79 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.071 0.462 . . . . 0.57 110.703 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 81.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.565 -0.743 . . . . 0.65 111.896 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.442 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 10.7 ptpp? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.888 0.375 . . . . 1.14 110.146 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.47 -40.92 85.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.627 -0.715 . . . . 2.11 110.505 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.36 -41.3 80.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 1.68 110.687 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 64.5 mt -68.87 -42.92 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.195 -0.457 . . . . 0.96 110.426 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.59 67.88 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.527 -0.306 . . . . 0.24 110.886 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.27 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.33 110.687 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.56 -40.3 82.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.166 0.507 . . . . 1.56 110.764 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.21 -53.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.26 -0.882 . . . . 0.24 112.008 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.46 -30.74 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.651 -0.419 . . . . 0.18 110.632 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -59.57 -40.39 87.19 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.187 0.518 . . . . 0.57 110.018 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.435 ' OH ' ' HA ' ' A' ' 5' ' ' LYS . 48.5 t80 -61.22 -55.22 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.424 -0.807 . . . . 1.39 110.836 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -63.71 -34.75 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 1.04 111.035 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 66.5 m -61.72 -41.66 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 0.9 110.334 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -67.31 -42.08 84.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.84 110.299 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' B' ' 24' ' ' GLU . 36.9 mm -60.89 -47.44 93.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.132 -0.485 . . . . 0.28 111.425 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.72 -32.56 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.218 -0.193 . . . . 0.34 111.374 -177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.5 -44.12 97.65 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.073 0.463 . . . . 2.49 110.737 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.514 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 88.6 mttt -83.76 -6.52 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.309 0.576 . . . . 1.41 110.542 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt 55.65 42.59 29.29 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 114.781 -1.1 . . . . 1.79 111.282 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' B' ' 22' ' ' LYS . 13.1 mm-40 -71.06 -9.46 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.691 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.67 150.18 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.337 -0.616 . . . . 0.36 109.337 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.8 t -60.92 162.12 7.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.733 0.301 . . . . 1.47 111.675 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -49.56 -54.62 17.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.628 -0.714 . . . . 1.87 112.332 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.28 -43.64 98.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 1.84 110.793 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.01 98.38 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.733 -0.667 . . . . 0.3 112.097 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.14 76.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.704 0.288 . . . . 0.24 111.267 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.97 -38.65 91.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.871 0.367 . . . . 1.47 110.614 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.8 t -65.18 -31.01 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.969 -0.559 . . . . 0.92 110.379 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.45 -36.59 63.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 0.21 110.488 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.17 -50.5 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.21 110.972 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.31 -31.92 53.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.754 0.311 . . . . 0.26 110.584 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.22 -48.25 79.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.226 -0.443 . . . . 0.18 110.546 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.11 -43.72 82.55 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.21 111.885 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.61 -29.6 68.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 1.68 110.624 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.34 -38.47 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.213 0.53 . . . . 0.27 109.956 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 36' ' ' ALA . 78.9 mt -63.59 -40.18 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.438 0.637 . . . . 0.16 109.361 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.9 m -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 1.13 110.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.92 -22.4 66.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.943 -0.571 . . . . 2.23 110.977 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.25 -41.69 24.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.25 111.805 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.425 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 86.0 m-85 -106.77 -12.52 15.5 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.757 0.651 . . . . 1.15 112.757 -173.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.43 56.72 5.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.257 -0.496 . . . . 0.43 112.838 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 6.3 p90 -147.19 164.37 33.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.888 0.344 . . . . 1.27 110.441 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -101.46 157.86 16.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 1.92 110.001 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -79.79 -12.72 59.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.068 0.461 . . . . 2.57 110.409 -176.538 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -92.7 -20.5 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 2.24 110.501 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.0 -3.73 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.48 110.97 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.656 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.3 m -47.11 -48.04 8.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.568 -0.742 . . . . 0.41 112.704 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -60.73 -44.81 96.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.673 0.273 . . . . 1.25 111.261 -175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -42.34 90.97 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.987 -0.551 . . . . 0.59 112.594 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -72.75 -49.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.982 0.42 . . . . 0.57 110.685 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 81.9 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.662 -0.699 . . . . 0.65 111.938 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' B' ' 24' ' ' GLU . 19.0 pttp . . . . . 0 C--O 1.227 -0.115 0 N-CA-C 112.278 0.473 . . . . 1.14 112.278 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.91 -50.59 70.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 2.11 110.525 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.16 -35.66 81.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.533 -0.758 . . . . 1.68 111.278 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.497 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 18.6 mt -69.46 -43.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.741 -0.384 . . . . 0.96 110.724 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.9 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.25 111.006 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.25 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 0.33 110.652 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.56 -44.33 96.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.342 0.592 . . . . 1.56 109.479 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.461 HD13 HG23 ' B' ' 12' ' ' ILE . 89.7 mt -59.69 -53.05 53.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.957 -1.02 . . . . 0.25 112.04 -177.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.67 -35.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.517 -0.473 . . . . 0.18 110.795 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -59.09 -42.8 91.31 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.083 0.468 . . . . 0.57 110.442 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.506 ' O ' HG12 ' A' ' 19' ' ' ILE . 74.6 t80 -63.61 -50.15 70.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.772 -0.649 . . . . 1.4 110.767 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -65.02 -35.57 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.788 -0.365 . . . . 1.05 111.034 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 m -61.02 -40.22 92.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.937 -0.394 . . . . 0.9 109.937 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.6 t -66.97 -42.11 85.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.84 110.112 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 15' ' ' TYR . 42.3 mm -60.9 -47.96 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.28 111.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.65 -36.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.076 -0.25 . . . . 0.34 111.398 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.24 -43.92 96.7 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.905 0.383 . . . . 2.49 110.794 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -85.33 -1.36 56.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.264 0.554 . . . . 1.42 110.903 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 55.38 46.35 23.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.789 -1.096 . . . . 1.79 111.784 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB2' HG23 ' A' ' 19' ' ' ILE . 43.3 mm-40 -80.71 -3.46 50.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.77 -0.65 . . . . 1.83 110.568 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.8 tt -132.06 149.14 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.914 -0.585 . . . . 0.36 109.512 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -61.16 161.85 8.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 1.45 112.081 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -49.67 -57.05 7.96 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.29 0.848 . . . . 1.87 113.29 -172.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.56 -37.55 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 1.85 110.525 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -60.62 -47.09 92.89 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.758 -0.734 . . . . 0.31 111.557 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.22 82.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.671 0.272 . . . . 0.24 111.371 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.67 -39.82 92.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.851 0.358 . . . . 1.46 110.736 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 m -64.31 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.92 110.718 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 93.8 mt -76.13 -33.84 59.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.554 -0.294 . . . . 0.21 110.591 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.07 -49.82 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.21 110.659 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.2 m -68.79 -28.42 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 0.25 110.552 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -65.14 -53.29 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.18 110.511 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.07 -37.54 74.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.369 -0.378 . . . . 0.21 110.997 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.1 -46.33 85.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 1.68 110.676 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.77 -34.88 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.26 111.132 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 36' ' ' ALA . 91.9 mt -65.1 -49.16 80.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.141 0.496 . . . . 0.16 110.383 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.624 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 18.6 m -62.22 -40.43 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 1.13 110.471 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.54 -36.73 84.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 2.23 111.098 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.03 62.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.519 -0.31 . . . . 0.25 111.698 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.79 -5.78 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 1.15 111.434 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.13 9.81 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.43 113.19 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.624 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 21.5 p90 -141.46 170.0 16.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.017 0.408 . . . . 1.27 110.797 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -103.1 155.52 18.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 1.92 110.132 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -80.64 -14.98 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.156 0.503 . . . . 2.57 110.14 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.39 -8.07 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.864 -0.607 . . . . 2.23 110.608 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.56 -3.64 57.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 0.48 110.866 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.497 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.7 m -54.28 -41.08 50.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 112.828 0.677 . . . . 0.41 112.828 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 t -61.76 -50.97 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.372 . . . . 1.24 110.44 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.47 72.49 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.775 -0.648 . . . . 0.59 112.994 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -74.06 -53.84 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.57 111.015 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 90.2 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.469 -0.787 . . . . 0.65 113.074 -175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.231 0.087 0 N-CA-C 112.344 0.498 . . . . 1.14 112.344 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.86 -50.39 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.206 0.527 . . . . 2.11 110.61 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.06 -35.71 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.433 -0.803 . . . . 1.68 111.348 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.455 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 18.6 mt -69.41 -43.46 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.67 -0.412 . . . . 0.96 110.7 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.66 -39.0 70.33 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.767 0.318 . . . . 0.24 111.028 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.35 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.33 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.46 -44.28 96.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.314 0.578 . . . . 1.56 109.494 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.461 HG23 HD13 ' A' ' 12' ' ' ILE . 89.1 mt -59.75 -52.94 55.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.945 -1.025 . . . . 0.24 112.07 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.73 -35.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.568 -0.453 . . . . 0.18 110.836 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -59.0 -42.75 90.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.57 110.397 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.512 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.6 t80 -63.78 -50.12 70.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 1.39 110.692 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -64.91 -35.56 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.824 -0.351 . . . . 1.04 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.5 m -60.98 -40.44 93.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.888 -0.412 . . . . 0.9 109.888 176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -66.72 -42.16 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 0.84 110.161 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 15' ' ' TYR . 42.4 mm -61.02 -47.89 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 0.28 111.308 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -74.81 -36.17 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.114 -0.235 . . . . 0.34 111.466 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.77 -43.36 96.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.984 0.421 . . . . 2.49 110.903 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -85.65 -1.42 57.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.129 0.49 . . . . 1.41 110.742 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.61 45.68 24.3 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.042 -0.981 . . . . 1.79 112.001 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.432 ' O ' ' HE2' ' A' ' 5' ' ' LYS . 43.4 mm-40 -80.16 -3.76 50.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.734 -0.666 . . . . 1.84 110.662 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 tt -131.64 149.25 32.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.818 -0.628 . . . . 0.36 109.504 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -61.44 162.12 8.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.168 0.433 . . . . 1.47 112.168 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -49.84 -57.17 7.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.25 0.833 . . . . 1.87 113.25 -171.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.48 -37.72 88.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.034 0.445 . . . . 1.84 110.435 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -60.33 -47.46 90.97 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.702 -0.761 . . . . 0.3 111.509 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.14 82.31 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.426 0.29 . . . . 0.24 111.446 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.55 -40.13 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.899 0.38 . . . . 1.47 110.643 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -64.15 -31.02 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.92 110.686 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 93.7 mt -75.96 -33.87 59.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.533 -0.303 . . . . 0.21 110.526 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -61.19 -49.57 76.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.403 -0.362 . . . . 0.21 110.735 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.92 -28.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.26 110.562 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.471 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -65.27 -53.4 44.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.18 110.366 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -57.97 -37.5 74.31 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.374 -0.376 . . . . 0.21 110.905 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.32 -46.15 86.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.565 -0.743 . . . . 1.68 110.701 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.71 -34.99 70.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 0.27 111.173 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 36' ' ' ALA . 91.7 mt -65.0 -49.14 81.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.131 0.491 . . . . 0.16 110.325 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.623 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -62.23 -40.45 96.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.572 -0.74 . . . . 1.13 110.552 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.39 -37.1 85.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.986 -0.552 . . . . 2.23 110.997 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -52.7 64.41 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.844 0.313 . . . . 0.25 111.844 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -91.31 -5.43 54.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 1.15 111.48 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.58 55.34 10.04 Favored Glycine 0 C--N 1.332 0.333 0 CA-C-N 115.461 -0.79 . . . . 0.43 113.163 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.623 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 21.3 p90 -141.77 169.76 16.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.92 0.36 . . . . 1.27 110.793 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -102.98 155.54 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.92 109.955 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -80.58 -15.17 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.056 0.455 . . . . 2.57 110.075 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.56 -7.24 55.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.966 -0.561 . . . . 2.24 110.736 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 -3.5 56.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.002 -0.544 . . . . 0.48 110.823 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 27.5 m -54.56 -41.44 54.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 115.762 -0.654 . . . . 0.41 112.764 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -61.14 -51.18 70.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 1.25 110.412 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.51 -38.89 72.25 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.903 -0.59 . . . . 0.59 113.188 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.33 -53.75 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.931 0.396 . . . . 0.57 111.106 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 89.9 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.348 -0.842 . . . . 0.65 112.991 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.537 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 17.9 pttp . . . . . 0 CA--C 1.522 -0.096 0 N-CA-C 113.042 0.756 . . . . 1.14 113.042 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.29 -43.48 86.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.69 0.281 . . . . 2.11 110.724 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.29 -50.91 69.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.293 0.568 . . . . 1.68 110.3 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.409 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 mm -65.54 -45.56 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.397 -0.82 . . . . 0.96 110.856 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.36 71.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.687 0.28 . . . . 0.25 111.416 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 0.33 110.491 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.12 -40.21 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.856 -0.611 . . . . 1.56 109.734 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.455 HG12 HG12 ' B' ' 12' ' ' ILE . 74.3 mt -62.02 -54.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 0.25 112.196 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.8 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 0.18 110.986 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.05 -37.35 76.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.185 0.517 . . . . 0.57 110.312 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.521 ' OH ' ' HA ' ' B' ' 5' ' ' LYS . 83.6 t80 -63.48 -51.85 63.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 1.4 110.616 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.39 -35.29 80.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.559 -0.292 . . . . 1.05 110.71 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -60.9 -35.51 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.12 0.486 . . . . 0.9 110.026 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 48.6 m -73.93 -41.14 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.84 110.974 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.9 mm -63.05 -44.02 99.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.45 -0.341 . . . . 0.28 111.1 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -74.22 -31.63 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.684 -0.235 . . . . 0.34 110.957 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.49 -50.92 72.0 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.333 0.587 . . . . 2.49 110.633 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 18' ' ' SER . 46.1 mttm -86.37 -3.2 58.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 1.42 110.968 -174.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.95 45.22 29.25 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.667 -1.152 . . . . 1.79 112.197 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.05 9.09 15.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.83 110.568 177.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.15 151.24 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 0.36 109.253 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -54.2 140.41 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 1.45 110.168 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.95 -27.43 69.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.932 -0.576 . . . . 1.87 112.02 -170.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.79 -46.6 78.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.282 0.563 . . . . 1.85 109.506 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.32 -34.8 86.38 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.339 -0.846 . . . . 0.31 111.81 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.93 83.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.709 0.29 . . . . 0.24 110.981 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.88 -37.53 84.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 1.46 110.352 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -65.59 -33.03 74.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.802 -0.636 . . . . 0.92 110.26 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.32 -34.6 65.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.21 110.468 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -60.22 -51.53 69.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.21 110.794 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.2 -28.65 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.25 110.763 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.99 -49.8 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.274 -0.421 . . . . 0.18 110.329 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.8 -37.64 76.79 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.21 111.647 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -41.63 99.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 1.68 111.055 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.64 -34.78 78.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.441 . . . . 0.26 110.405 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.7 mt -69.02 -47.07 77.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.524 . . . . 0.16 110.709 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 11.7 p -65.56 -37.43 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 1.13 111.011 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.01 -37.53 85.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 2.23 110.802 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -51.62 53.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.25 112.038 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 84.6 m-85 -94.62 -7.39 41.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.152 0.427 . . . . 1.15 112.152 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.75 30.11 Favored Glycine 0 C--O 1.229 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.43 113.066 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 14.9 p90 -135.28 165.01 26.42 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.642 -0.328 . . . . 1.27 110.554 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.98 149.51 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 1.92 110.032 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -20.73 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.008 0.432 . . . . 2.57 110.402 -173.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.01 -7.43 45.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 2.23 110.785 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.5 1.53 57.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.108 -0.496 . . . . 0.48 110.574 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.83 -36.59 15.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 115.455 -0.793 . . . . 0.41 112.755 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -61.86 -46.96 87.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.311 . . . . 1.24 110.776 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -39.42 83.78 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.861 -0.609 . . . . 0.59 112.825 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.29 -54.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.727 0.298 . . . . 0.57 111.069 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.65 111.807 -176.206 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.521 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 17.9 pttp . . . . . 0 CA--C 1.523 -0.08 0 N-CA-C 113.036 0.754 . . . . 1.14 113.036 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.17 -43.58 86.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.811 0.338 . . . . 2.11 110.724 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.18 -50.9 69.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.239 0.542 . . . . 1.68 110.394 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.406 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.6 mm -65.57 -45.45 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.84 . . . . 0.96 110.779 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.28 71.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.669 0.271 . . . . 0.24 111.432 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 0.33 110.464 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.865 -0.607 . . . . 1.56 109.697 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.455 HG12 HG12 ' A' ' 12' ' ' ILE . 74.4 mt -62.01 -54.84 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.145 -0.934 . . . . 0.24 112.17 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.8 -35.31 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.568 -0.453 . . . . 0.18 110.935 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -59.19 -37.41 77.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.167 0.508 . . . . 0.57 110.228 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.537 ' OH ' ' HA ' ' A' ' 5' ' ' LYS . 83.0 t80 -63.23 -51.85 64.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.643 -0.708 . . . . 1.39 110.705 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.635 -0.257 . . . . 1.04 110.801 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -61.17 -35.1 76.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 0.9 110.19 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' B' ' 22' ' ' LYS . 46.5 m -74.41 -40.9 61.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.679 -0.691 . . . . 0.84 110.896 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.422 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.6 mm -63.12 -43.93 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 0.28 111.155 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.37 -31.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.608 -0.269 . . . . 0.34 110.81 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.42 -50.53 73.37 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.317 0.579 . . . . 2.49 110.605 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 18' ' ' SER . 46.4 mttm -86.83 -3.02 59.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.497 -0.774 . . . . 1.41 110.831 -174.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.72 45.19 29.17 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.686 -1.143 . . . . 1.79 112.247 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.14 9.35 15.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 1.84 110.615 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.39 151.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.612 -0.722 . . . . 0.36 109.155 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.23 140.54 32.42 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.375 0.422 . . . . 1.47 110.143 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.31 -26.81 68.94 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 1.87 112.13 -170.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -46.88 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.567 -0.531 . . . . 1.84 109.567 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -34.67 87.8 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.324 -0.853 . . . . 0.3 111.932 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.26 83.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.717 0.294 . . . . 0.24 110.963 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.76 -37.41 84.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.087 0.47 . . . . 1.47 110.438 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.48 -33.29 75.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 0.92 110.184 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.93 -34.77 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.21 110.518 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.18 -51.5 69.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.21 110.788 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.18 -28.66 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 0.26 110.797 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.91 -49.85 73.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 0.18 110.319 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.96 -37.73 77.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.21 111.588 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -41.9 99.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.698 0.285 . . . . 1.68 111.02 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.74 -34.73 78.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 0.27 110.528 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.0 mt -68.89 -47.23 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.16 110.64 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 12.3 p -65.65 -36.95 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 1.13 111.126 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -62.45 -37.39 85.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 2.23 110.795 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -51.36 55.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.25 112.13 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 84.6 m-85 -95.01 -6.88 41.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.112 0.412 . . . . 1.15 112.112 -174.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 47.62 32.79 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.43 113.102 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 14.7 p90 -135.07 165.47 25.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.771 0.32 . . . . 1.27 110.538 -178.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -98.2 149.4 22.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.947 -0.57 . . . . 1.92 110.061 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.78 42.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 2.57 110.453 -173.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.96 -7.49 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.194 0.521 . . . . 2.24 110.824 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.35 1.38 57.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 0.48 110.632 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.78 -36.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.483 -0.781 . . . . 0.41 112.729 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -61.95 -46.45 89.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 1.25 110.832 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.58 -39.91 86.26 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.59 112.789 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -75.13 -54.77 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.57 111.065 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.536 . . . . 0.65 111.784 -176.415 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 pttm . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.651 0.262 . . . . 1.14 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.97 -41.01 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.98 -0.554 . . . . 2.11 110.499 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.15 -46.46 90.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.191 0.519 . . . . 1.68 110.242 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.552 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 44.9 mt -70.12 -46.57 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 0.96 110.726 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.99 65.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.616 0.246 . . . . 0.25 111.343 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.94 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.33 110.504 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.1 -40.8 86.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 1.56 110.6 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 8' ' ' ILE . 77.3 mt -60.55 -57.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 0.25 111.881 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.62 -35.88 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.896 -0.321 . . . . 0.18 110.803 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -58.82 -42.19 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.57 110.591 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.554 ' CZ ' HD12 ' B' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.21 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 1.4 111.043 -176.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.1 -38.75 92.41 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.88 -0.328 . . . . 1.05 110.422 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -62.59 -35.66 80.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 0.9 110.042 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -72.91 -43.65 62.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.84 110.479 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 15' ' ' TYR . 36.9 mm -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.28 111.41 -179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.42 -33.78 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.019 -0.272 . . . . 0.34 111.0 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.37 -48.37 81.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.921 0.391 . . . . 2.49 110.653 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -80.76 -4.0 52.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.023 -0.535 . . . . 1.42 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt 55.67 41.92 29.96 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.066 -0.97 . . . . 1.79 111.782 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.89 5.9 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.945 0.403 . . . . 1.83 111.1 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' CE1' ' B' ' 44' ' ' PHE . 15.8 tt -130.59 146.68 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.481 -0.563 . . . . 0.36 109.481 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -57.79 151.57 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.231 -0.44 . . . . 1.45 111.308 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -50.21 -48.16 54.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.227 0.454 . . . . 1.87 112.227 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.17 -41.98 80.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.287 0.565 . . . . 1.85 110.8 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -68.28 -41.25 86.47 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.31 112.066 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.672 0.249 . . . . 0.24 111.672 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.27 -39.72 87.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 1.46 110.669 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.34 -30.38 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 0.92 110.556 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.93 -33.41 57.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.305 . . . . 0.21 110.757 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -63.3 -48.36 78.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.21 110.795 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 m -68.09 -29.85 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 0.25 110.397 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.296 -0.411 . . . . 0.18 110.477 176.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.2 mtm -56.74 -38.1 71.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 0.21 111.407 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.85 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 1.68 110.763 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.6 m -64.68 -36.38 84.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.26 111.311 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 36' ' ' ALA . 87.8 mt -66.09 -49.43 76.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.487 . . . . 0.16 110.4 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.463 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 14.9 m -64.12 -39.4 93.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 1.13 110.775 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.84 -27.56 67.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 2.23 111.08 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -51.4 24.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.545 -0.298 . . . . 0.25 111.354 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' B' ' 25' ' ' ILE . 74.6 m-85 -93.48 -6.21 47.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 1.15 111.9 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.06 54.3 28.46 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.43 112.973 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 17.1 p90 -136.81 166.79 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.856 0.328 . . . . 1.27 110.528 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -96.96 147.36 24.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 1.92 109.879 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -81.08 -18.3 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.138 0.494 . . . . 2.57 110.057 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -84.96 -4.17 59.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 2.23 110.411 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.89 1.26 56.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.837 -0.62 . . . . 0.48 110.839 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.662 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 m -55.28 -39.4 51.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-N 116.083 -0.508 . . . . 0.41 111.83 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 p -57.06 -56.93 15.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.777 0.322 . . . . 1.24 110.967 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.18 -38.55 56.64 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.745 -0.662 . . . . 0.59 113.375 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -45.74 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.843 0.322 . . . . 0.57 111.091 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.249 -0.432 . . . . 0.65 111.322 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 pttm . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.699 0.285 . . . . 1.14 110.936 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.09 -40.93 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.972 -0.558 . . . . 2.11 110.495 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.16 -46.53 90.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.066 -0.515 . . . . 1.68 110.258 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.554 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 45.2 mt -70.12 -46.5 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.528 -0.76 . . . . 0.96 110.78 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.57 -39.84 65.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.601 0.238 . . . . 0.24 111.338 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.82 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.33 110.545 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.11 -40.7 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.002 0.43 . . . . 1.56 110.672 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 8' ' ' ILE . 77.3 mt -60.75 -57.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.534 -0.757 . . . . 0.24 111.758 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.38 -36.1 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.943 -0.303 . . . . 0.18 110.808 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -58.92 -41.96 88.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.57 110.694 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.552 ' CZ ' HD12 ' A' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.3 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 1.39 110.956 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.15 -38.6 91.81 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.899 -0.32 . . . . 1.04 110.441 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -62.83 -35.27 79.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 0.9 110.118 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -73.17 -43.66 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.84 110.443 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.424 HG12 ' O ' ' B' ' 15' ' ' TYR . 37.0 mm -61.02 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.28 111.324 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -72.28 -33.91 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 121.029 -0.269 . . . . 0.34 110.997 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.37 -48.42 81.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.098 0.475 . . . . 2.49 110.672 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -80.77 -3.95 52.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.979 -0.555 . . . . 1.41 111.04 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt 55.65 41.73 30.2 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.984 -1.007 . . . . 1.79 111.789 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.79 5.86 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 1.84 111.002 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.463 HD12 ' CE1' ' A' ' 44' ' ' PHE . 15.9 tt -130.54 146.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.525 -0.546 . . . . 0.36 109.525 177.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -57.81 151.61 17.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.283 -0.417 . . . . 1.47 111.381 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.1 -48.03 53.51 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.267 0.469 . . . . 1.87 112.267 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.41 -42.35 82.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.092 0.473 . . . . 1.84 110.683 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.79 -41.53 88.51 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.566 -0.743 . . . . 0.3 112.058 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.28 -48.97 75.56 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 111.63 0.233 . . . . 0.24 111.63 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.23 -39.6 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.443 . . . . 1.47 110.707 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -65.45 -30.54 71.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 0.92 110.581 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 90.7 mt -76.85 -33.26 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.21 110.724 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.4 -48.39 78.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.248 -0.433 . . . . 0.21 110.772 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.21 -29.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.946 -0.301 . . . . 0.26 110.467 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.97 -50.3 69.11 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.475 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.1 mtm -56.54 -38.51 71.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.328 -0.396 . . . . 0.21 111.327 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.85 -48.3 82.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.511 . . . . 1.68 110.665 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 86.3 m -64.94 -36.38 84.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.27 111.28 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 36' ' ' ALA . 88.1 mt -66.05 -49.22 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.219 0.533 . . . . 0.16 110.474 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.466 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.1 m -64.64 -39.28 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.622 -0.717 . . . . 1.13 110.717 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.85 -26.8 67.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.03 -0.532 . . . . 2.23 111.229 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.07 -51.17 22.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.707 0.289 . . . . 0.25 111.412 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CE1' HD12 ' A' ' 25' ' ' ILE . 74.9 m-85 -93.35 -7.16 45.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 1.15 111.889 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.8 54.11 27.14 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.43 113.053 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 17.1 p90 -136.8 166.3 23.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.888 0.344 . . . . 1.27 110.45 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -96.61 147.32 24.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 1.92 109.758 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -80.9 -18.54 46.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.988 0.423 . . . . 2.57 110.115 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.56 -4.85 59.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 2.24 110.418 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.2 0.96 57.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 0.48 110.739 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.671 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 17.3 m -54.95 -39.45 49.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.41 111.857 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.8 p -57.15 -56.98 14.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.857 0.36 . . . . 1.25 110.897 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.42 -38.12 57.0 Favored Glycine 0 CA--C 1.52 0.382 0 CA-C-N 115.684 -0.689 . . . . 0.59 113.305 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.5 mt -74.49 -45.83 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.025 0.413 . . . . 0.57 111.081 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 23.9 mt . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.324 -0.398 . . . . 0.65 111.279 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.943 0.402 . . . . 1.14 109.957 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.18 -42.54 93.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.496 -0.774 . . . . 2.11 110.121 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -58.16 -51.19 70.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.408 0.623 . . . . 1.68 110.564 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 49.1 mt -66.9 -43.1 89.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.206 -0.907 . . . . 0.96 110.943 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.63 72.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.508 0.195 . . . . 0.25 111.217 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -46.54 90.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.33 110.74 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.22 -43.45 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.484 . . . . 1.56 110.328 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 8' ' ' ILE . 85.5 mt -59.29 -54.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.152 -0.931 . . . . 0.25 112.067 -176.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.61 -39.78 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.696 -0.402 . . . . 0.18 111.001 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.76 -33.93 73.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.44 . . . . 0.57 110.517 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.49 ' O ' HG12 ' A' ' 19' ' ' ILE . 55.1 t80 -65.88 -50.43 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 1.4 110.803 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.25 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.986 -0.286 . . . . 1.05 110.497 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 49.0 m -61.05 -43.87 98.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.248 -0.433 . . . . 0.9 109.848 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -65.06 -38.15 89.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.316 -0.402 . . . . 0.84 110.473 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 15' ' ' TYR . 45.7 mm -61.85 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.491 -0.322 . . . . 0.28 111.223 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -75.71 -28.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.063 -0.255 . . . . 0.34 111.092 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 17' ' ' SER . 29.0 mm-40 -64.84 -47.8 76.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.956 0.408 . . . . 2.49 110.602 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.81 -11.26 59.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.42 111.022 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.31 40.99 32.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.938 -1.028 . . . . 1.79 111.647 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.1 8.23 6.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.964 -0.562 . . . . 1.83 111.143 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.49 149.42 24.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.586 -0.524 . . . . 0.36 109.586 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -58.28 148.16 28.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.11 0.481 . . . . 1.45 110.06 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.42 -28.38 69.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.337 -0.847 . . . . 1.87 112.324 -170.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 1.85 109.732 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -39.02 90.12 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.31 111.453 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.42 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.24 111.132 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.24 -39.68 91.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 1.46 110.472 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -63.8 -34.48 78.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.984 -0.553 . . . . 0.92 110.265 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.32 -37.01 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.826 0.346 . . . . 0.21 110.522 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -59.81 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.21 110.826 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.5 m -71.8 -31.75 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.846 -0.342 . . . . 0.25 110.667 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -59.4 -52.98 63.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.74 0.305 . . . . 0.18 110.404 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mtm -57.02 -38.81 73.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.114 -0.494 . . . . 0.21 111.375 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -45.96 90.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 1.68 110.606 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.88 -40.48 95.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.26 110.764 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 36' ' ' ALA . 83.2 mt -64.16 -47.69 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.16 110.349 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.579 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 22.3 m -62.15 -41.38 98.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.681 . . . . 1.13 110.825 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.3 -41.35 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 2.23 110.834 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.96 94.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.25 112.146 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -104.6 -3.49 23.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.886 0.374 . . . . 1.15 111.801 -176.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.8 46.14 54.73 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.896 -0.593 . . . . 0.43 113.386 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 16.8 p90 -133.75 165.1 25.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.752 0.276 . . . . 1.27 110.394 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.49 154.25 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.133 -0.485 . . . . 1.92 109.811 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -81.01 -22.4 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.232 -0.655 . . . . 2.57 109.232 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.9 -12.03 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.376 -0.829 . . . . 2.23 110.751 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.78 3.81 53.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.48 110.926 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.643 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 8.0 m -49.42 -45.21 18.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 115.824 -0.625 . . . . 0.41 112.068 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -56.28 -48.89 75.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 1.24 111.305 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.22 -45.31 52.21 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.646 -0.706 . . . . 0.59 112.953 175.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.9 mt -76.65 -40.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.536 . . . . 0.57 110.772 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 63.9 mt . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.866 -0.606 . . . . 0.65 111.907 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.99 0.424 . . . . 1.14 109.906 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.26 -42.5 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.795 . . . . 2.11 110.096 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.17 -51.16 70.88 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.461 0.648 . . . . 1.68 110.621 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.477 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 49.1 mt -66.88 -43.12 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.216 -0.902 . . . . 0.96 110.989 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.71 71.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.669 0.271 . . . . 0.24 111.33 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.39 90.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 0.33 110.697 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.37 -43.42 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 1.56 110.311 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.443 HG13 ' O ' ' B' ' 8' ' ' ILE . 85.1 mt -59.33 -54.69 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.165 -0.925 . . . . 0.24 112.072 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.76 -39.64 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.66 -0.416 . . . . 0.18 111.047 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -60.75 -33.93 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.982 0.42 . . . . 0.57 110.555 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.493 ' O ' HG12 ' B' ' 19' ' ' ILE . 55.1 t80 -66.04 -50.26 64.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 1.39 110.77 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.32 -32.88 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.665 0.269 . . . . 1.04 110.479 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' B' ' 21' ' ' GLU . 49.6 m -61.03 -43.94 98.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.9 109.925 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -65.02 -38.24 90.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.84 110.532 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 15' ' ' TYR . 45.6 mm -61.58 -43.33 96.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.467 -0.333 . . . . 0.28 111.233 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.82 -27.9 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.931 -0.308 . . . . 0.34 111.052 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' B' ' 17' ' ' SER . 27.6 mm-40 -65.04 -47.67 76.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.39 . . . . 2.49 110.469 173.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -75.8 -11.2 59.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.21 0.529 . . . . 1.41 111.036 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.57 40.41 31.83 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 114.879 -1.055 . . . . 1.79 111.648 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -78.9 8.75 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 1.84 111.14 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.95 149.13 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.654 -0.499 . . . . 0.36 109.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -57.87 147.87 27.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.16 0.505 . . . . 1.47 109.983 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.55 -28.24 69.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.832 . . . . 1.87 112.335 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -71.16 -40.3 71.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 1.84 109.699 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.81 -39.04 89.96 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.407 -0.677 . . . . 0.3 111.407 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.37 81.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.763 0.316 . . . . 0.24 111.15 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.43 -39.2 89.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.951 0.405 . . . . 1.47 110.568 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.4 t -63.96 -34.83 78.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.92 110.199 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.99 -37.01 75.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.411 -0.359 . . . . 0.21 110.584 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -59.86 -48.59 81.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.21 110.879 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.7 -31.7 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.791 -0.364 . . . . 0.26 110.678 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -59.44 -52.99 63.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 120.655 0.264 . . . . 0.18 110.404 175.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.6 mtm -56.98 -38.91 73.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.21 111.388 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.37 -46.09 90.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.68 110.577 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.94 -40.48 95.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 0.27 110.606 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.8 mt -64.3 -47.5 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.16 110.33 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.585 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 22.2 m -62.24 -41.24 98.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.772 -0.649 . . . . 1.13 110.779 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.64 -40.72 97.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 2.23 110.92 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.78 95.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.965 -0.562 . . . . 0.25 112.053 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -104.56 -3.6 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.644 -0.422 . . . . 1.15 111.801 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.91 46.31 53.1 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.43 113.332 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.585 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 16.8 p90 -133.79 165.22 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.896 0.348 . . . . 1.27 110.367 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.26 154.24 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.188 -0.46 . . . . 1.92 109.937 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 2.57 109.201 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.6 -11.85 52.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 2.24 110.699 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.85 3.87 53.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 0.48 110.958 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.643 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 8.2 m -49.57 -45.37 19.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.784 -0.644 . . . . 0.41 112.07 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 1.25 111.133 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.23 -45.02 52.46 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.647 -0.706 . . . . 0.59 113.052 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 56.6 mt -76.89 -40.61 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.172 0.51 . . . . 0.57 110.801 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 63.2 mt . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.828 -0.624 . . . . 0.65 112.011 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 pttm . . . . . 0 CA--C 1.526 0.046 0 N-CA-C 112.076 0.398 . . . . 1.14 112.076 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.58 -44.13 83.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 2.11 110.282 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -62.65 -41.99 99.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 1.68 110.65 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.86 -40.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.885 -0.598 . . . . 0.96 110.417 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.81 77.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.525 -0.307 . . . . 0.25 111.091 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.21 94.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.33 110.528 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.91 -45.34 94.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.822 -0.626 . . . . 1.56 109.456 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.35 -46.96 95.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.474 -0.784 . . . . 0.25 112.149 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.41 -36.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.501 -0.48 . . . . 0.18 110.981 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.39 -37.04 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.307 0.575 . . . . 0.57 109.779 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.559 ' O ' HG12 ' A' ' 19' ' ' ILE . 66.3 t80 -59.94 -53.05 62.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.351 -0.841 . . . . 1.4 110.543 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -64.8 -32.34 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.547 -0.297 . . . . 1.05 110.982 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.4 m -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.714 -0.476 . . . . 0.9 109.714 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.2 t -56.29 -33.51 65.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.259 0.552 . . . . 0.84 110.86 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.7 mm -71.92 -52.02 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.137 -0.483 . . . . 0.28 111.128 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.87 -42.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.27 0.47 . . . . 0.34 112.27 -174.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 2.49 111.393 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.34 57.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 1.42 111.194 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.54 49.59 16.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.117 -0.947 . . . . 1.79 111.515 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 19' ' ' ILE . 5.7 mm-40 -80.07 -7.53 58.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.659 -0.701 . . . . 1.83 109.88 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -130.55 154.18 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.578 -0.737 . . . . 0.36 109.758 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -60.24 159.03 10.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.296 0.373 . . . . 1.45 111.57 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.58 -54.81 23.63 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.085 0.772 . . . . 1.87 113.085 -171.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.66 -37.67 88.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.162 0.506 . . . . 1.85 110.441 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.92 -44.6 97.18 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.786 -0.721 . . . . 0.31 111.525 176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.53 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.547 0.213 . . . . 0.24 111.204 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.67 -41.08 97.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 1.46 110.354 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 m -64.18 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.809 -0.632 . . . . 0.92 110.97 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -76.65 -35.22 58.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.687 0.28 . . . . 0.21 110.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -60.21 -46.31 90.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.21 110.857 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 m -73.69 -27.53 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.25 110.578 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.41 -49.56 73.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.352 -0.385 . . . . 0.18 110.232 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.4 mtm -59.21 -34.78 72.58 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.118 -0.492 . . . . 0.21 110.921 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.03 -43.9 94.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.68 110.441 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.51 -38.56 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 0.26 110.872 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 36' ' ' ALA . 77.6 mt -66.05 -40.87 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.456 0.646 . . . . 0.16 109.743 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.34 -45.82 92.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.961 -1.018 . . . . 1.13 110.182 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.77 -34.07 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 2.23 111.314 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.41 71.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.258 -0.428 . . . . 0.25 111.877 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 99.1 m-85 -99.35 -4.67 31.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.055 0.455 . . . . 1.15 112.122 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.15 52.07 44.46 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.768 -0.651 . . . . 0.43 113.26 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 13.8 p90 -136.4 172.91 12.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.857 0.328 . . . . 1.27 110.323 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.533 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 28.4 mm-40 -107.13 150.45 26.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.02 -0.363 . . . . 1.92 110.02 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.533 ' NH1' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -80.22 -14.25 58.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 2.57 110.175 -173.144 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -80.22 -22.12 42.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 2.23 110.887 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -85.21 2.41 43.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 0.48 111.782 -177.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.6 m -53.73 -46.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.403 0.52 . . . . 0.41 112.403 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.74 -49.16 78.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 1.24 111.022 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.43 -38.15 78.21 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.634 -0.712 . . . . 0.59 113.24 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 50' ' ' ALA . 63.1 mt -76.57 -43.31 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 0.57 110.769 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 59.2 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.17 -0.468 . . . . 0.65 111.076 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 pttm . . . . . 0 C--O 1.23 0.051 0 N-CA-C 112.128 0.418 . . . . 1.14 112.128 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.71 -44.1 82.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.14 0.495 . . . . 2.11 110.27 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.563 -0.744 . . . . 1.68 110.701 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.98 -40.1 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 0.96 110.434 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.15 -40.96 78.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.586 -0.279 . . . . 0.24 111.014 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.174 -0.466 . . . . 0.33 110.542 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.78 -45.41 93.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.84 -0.618 . . . . 1.56 109.589 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.26 -47.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.391 -0.822 . . . . 0.24 112.132 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.39 -36.11 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.529 -0.468 . . . . 0.18 110.923 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -63.4 -36.94 85.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.344 0.593 . . . . 0.57 109.873 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.556 ' O ' HG12 ' B' ' 19' ' ' ILE . 67.0 t80 -59.91 -53.26 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.231 -0.895 . . . . 1.39 110.549 176.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -64.61 -32.47 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.57 -0.286 . . . . 1.04 110.96 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.9 m -60.22 -50.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.715 -0.476 . . . . 0.9 109.715 175.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.7 t -56.7 -33.39 66.41 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.169 0.509 . . . . 0.84 110.724 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.556 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.8 mm -71.99 -51.77 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.151 -0.477 . . . . 0.28 111.153 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.27 -41.95 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.233 0.457 . . . . 0.34 112.233 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.23 -37.94 87.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 2.49 111.425 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.27 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.432 . . . . 1.41 111.21 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.5 50.17 15.18 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.123 -0.944 . . . . 1.79 111.533 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' B' ' 19' ' ' ILE . 5.7 mm-40 -80.44 -7.7 59.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.741 -0.663 . . . . 1.84 109.796 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -130.32 154.21 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.755 . . . . 0.36 109.724 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -60.47 159.11 10.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.452 -0.34 . . . . 1.47 111.709 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.24 -54.68 23.45 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.15 0.796 . . . . 1.87 113.15 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.04 -37.73 88.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.089 0.471 . . . . 1.84 110.472 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.42 97.46 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.775 -0.726 . . . . 0.3 111.582 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.83 -45.39 86.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.564 0.221 . . . . 0.24 111.283 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.71 -41.1 97.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 1.47 110.341 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 46.3 m -64.13 -31.49 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.69 -0.686 . . . . 0.92 110.86 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.58 -35.24 58.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.323 . . . . 0.21 110.681 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -60.33 -46.33 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.21 110.791 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 20.8 m -73.66 -27.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.26 110.563 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.417 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.64 -49.48 73.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.381 -0.372 . . . . 0.18 110.131 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -59.14 -34.98 72.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.156 -0.474 . . . . 0.21 110.926 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.98 -43.96 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 1.68 110.397 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.0 m -67.59 -38.37 83.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 0.27 111.004 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 36' ' ' ALA . 77.6 mt -66.1 -40.87 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.16 109.815 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.1 -46.07 90.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 1.13 110.151 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.67 -34.05 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 2.23 111.256 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.3 71.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.25 111.919 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.431 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 99.1 m-85 -99.56 -4.6 30.79 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.026 0.38 . . . . 1.15 112.026 -174.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.02 52.15 44.34 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.43 113.231 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 14.0 p90 -136.36 173.11 12.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.832 0.316 . . . . 1.27 110.274 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.53 ' HA ' ' NH1' ' B' ' 48' ' ' ARG . 28.3 mm-40 -107.22 150.45 26.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.031 -0.359 . . . . 1.92 110.031 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.53 ' NH1' ' HA ' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -80.2 -14.3 58.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 2.57 110.118 -173.088 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -80.2 -22.07 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.347 -0.388 . . . . 2.24 111.071 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -85.29 2.25 44.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 0.48 111.613 -176.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 15.6 m -53.67 -46.23 61.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 112.407 0.521 . . . . 0.41 112.407 -177.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.68 -49.45 77.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.847 0.356 . . . . 1.25 110.899 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -38.38 75.67 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.802 -0.636 . . . . 0.59 113.276 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 50' ' ' ALA . 63.2 mt -76.39 -43.17 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 0.57 110.817 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 60.2 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.171 -0.468 . . . . 0.65 111.117 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 15.0 pttm . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 112.113 0.412 . . . . 1.14 112.113 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.53 -54.43 47.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.203 0.525 . . . . 2.11 110.96 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.4 -43.68 98.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 1.68 111.003 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.482 HG13 ' CZ ' ' B' ' 15' ' ' TYR . 47.9 mm -66.68 -49.59 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.846 -0.615 . . . . 0.96 110.674 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.38 69.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.602 -0.272 . . . . 0.25 111.305 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.14 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.33 110.862 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 1.56 109.7 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.458 HG23 HD13 ' B' ' 12' ' ' ILE . 66.3 mt -59.07 -57.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 0.25 112.003 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.12 -33.05 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 0.18 110.805 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.95 -42.42 98.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.57 110.399 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' B' ' 8' ' ' ILE . 47.5 t80 -66.89 -44.77 79.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.571 . . . . 1.4 111.052 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.68 -34.34 78.07 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.853 -0.339 . . . . 1.05 110.55 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.8 m -62.46 -33.9 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.9 110.355 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 m -71.99 -40.59 68.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.408 -0.36 . . . . 0.84 110.405 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.431 HG23 ' HB2' ' A' ' 24' ' ' GLU . 39.9 mm -60.24 -50.35 80.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.28 111.315 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.78 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.544 -0.298 . . . . 0.34 110.996 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.35 -42.76 98.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 2.49 111.297 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -86.07 -1.18 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 1.42 110.936 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.75 40.74 12.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.52 -0.764 . . . . 1.79 110.661 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 19.5 mm-40 -72.7 -14.37 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.158 -0.928 . . . . 1.83 111.192 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.4 tt -133.0 145.66 33.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.193 -0.458 . . . . 0.36 109.822 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 163.78 8.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 1.45 111.732 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -52.66 -48.57 66.37 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.475 0.546 . . . . 1.87 112.475 -171.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.25 -45.45 93.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.079 0.466 . . . . 1.85 110.148 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.03 97.76 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.31 111.961 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.537 0.208 . . . . 0.24 111.39 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.89 -38.14 87.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.391 . . . . 1.46 110.485 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.58 -36.56 84.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.901 -0.591 . . . . 0.92 110.276 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.95 -34.98 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 0.21 110.431 175.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.21 110.729 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 m -71.21 -30.42 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.495 -0.32 . . . . 0.25 110.547 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.77 -51.9 65.32 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.516 -0.311 . . . . 0.18 110.52 176.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.5 mtm -58.87 -36.12 74.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.427 -0.351 . . . . 0.21 111.051 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.03 -49.03 79.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 1.68 110.364 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.26 111.143 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 36' ' ' ALA . 84.6 mt -63.76 -47.59 90.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 0.16 110.306 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.509 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 15.8 m -63.72 -39.3 93.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.718 -0.674 . . . . 1.13 110.257 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.95 -49.18 78.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 2.23 110.825 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.01 59.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.538 -0.755 . . . . 0.25 112.233 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 90.3 m-85 -89.79 -4.15 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.958 0.409 . . . . 1.15 111.583 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.61 48.95 53.59 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.817 -0.629 . . . . 0.43 113.484 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.2 p90 -135.03 171.49 14.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.972 0.415 . . . . 1.27 110.885 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -101.97 153.04 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 1.92 109.715 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -79.26 -16.09 56.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.198 0.523 . . . . 2.57 110.189 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.18 -15.04 48.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.677 -0.692 . . . . 2.23 110.327 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.99 -0.34 56.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.868 -0.605 . . . . 0.48 111.394 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 m -50.27 -42.12 20.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.41 112.137 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -61.22 -48.95 79.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.927 0.394 . . . . 1.24 110.875 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.66 -42.01 83.73 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.481 -0.782 . . . . 0.59 112.939 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.1 mt -74.1 -46.34 45.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.776 0.288 . . . . 0.57 110.81 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 75.3 mt . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 116.21 -0.45 . . . . 0.65 111.362 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.451 ' HB2' ' CE1' ' B' ' 44' ' ' PHE . 15.1 pttm . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.143 0.424 . . . . 1.14 112.143 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -58.6 -54.41 47.41 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.158 0.504 . . . . 2.11 110.99 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.17 -43.79 98.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.321 -0.854 . . . . 1.68 111.005 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.515 HG13 ' CZ ' ' A' ' 15' ' ' TYR . 47.9 mm -66.68 -49.47 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 0.96 110.772 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.35 -37.26 69.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.518 -0.31 . . . . 0.24 111.352 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.12 71.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.33 110.748 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.25 -38.57 91.68 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.68 -0.489 . . . . 1.56 109.68 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.458 HD13 HG23 ' A' ' 12' ' ' ILE . 66.4 mt -59.08 -57.22 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.797 -0.638 . . . . 0.24 112.022 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.04 -33.16 61.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.772 -0.371 . . . . 0.18 110.742 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.57 110.385 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.482 ' CZ ' HG13 ' A' ' 8' ' ' ILE . 47.4 t80 -66.89 -44.94 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 1.39 110.967 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.56 -34.25 77.8 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.834 -0.346 . . . . 1.04 110.64 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 m -62.81 -33.39 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.9 110.452 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.0 m -72.1 -40.89 67.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 0.84 110.446 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.433 HG23 ' HB2' ' B' ' 24' ' ' GLU . 40.0 mm -60.14 -50.26 80.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 0.28 111.367 -178.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.76 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.558 -0.292 . . . . 0.34 111.09 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.42 -42.68 98.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 2.49 111.199 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -85.82 -1.95 57.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 1.41 110.914 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 62.14 40.82 11.44 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.57 -0.741 . . . . 1.79 110.688 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.433 ' HB2' HG23 ' B' ' 19' ' ' ILE . 19.1 mm-40 -72.85 -14.36 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.186 -0.916 . . . . 1.84 111.186 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.14 145.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.129 -0.487 . . . . 0.36 109.851 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -62.35 164.11 7.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.47 111.812 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -52.83 -48.71 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.459 0.54 . . . . 1.87 112.459 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.97 -45.4 93.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.129 0.49 . . . . 1.84 110.168 -176.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.97 97.41 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.579 -0.737 . . . . 0.3 111.942 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.44 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.571 0.224 . . . . 0.24 111.348 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.03 -38.29 88.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.926 0.393 . . . . 1.47 110.563 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.23 -36.88 85.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.85 -0.613 . . . . 0.92 110.193 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.72 -35.05 72.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 0.21 110.477 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.77 -49.55 77.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.21 110.773 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.27 -30.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 0.26 110.639 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.504 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.97 -52.11 64.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.491 -0.322 . . . . 0.18 110.432 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.4 mtm -58.62 -36.25 73.76 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.443 -0.344 . . . . 0.21 111.021 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.15 -48.86 79.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 1.68 110.309 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.61 -37.39 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.27 111.102 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 36' ' ' ALA . 84.5 mt -63.86 -47.54 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 0.16 110.264 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.516 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.7 m -63.78 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 1.13 110.256 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.11 -48.94 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.698 -0.683 . . . . 2.23 110.865 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.93 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.579 -0.737 . . . . 0.25 112.219 -175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 90.5 m-85 -89.72 -4.42 57.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 1.15 111.538 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.77 48.93 52.68 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.43 113.427 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 19.0 p90 -134.87 171.91 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.203 0.501 . . . . 1.27 110.728 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.13 153.07 20.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 1.92 109.724 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -79.3 -16.16 56.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.145 0.498 . . . . 2.57 110.172 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -84.17 -15.16 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.686 -0.688 . . . . 2.24 110.223 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.98 -0.39 56.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.48 111.429 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.538 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 26.1 m -50.16 -42.27 19.68 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.41 112.092 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.5 p -61.14 -48.9 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.01 0.434 . . . . 1.25 110.856 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.83 84.8 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.59 112.977 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 32.3 mt -74.1 -46.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.57 110.838 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 75.4 mt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 116.142 -0.481 . . . . 0.65 111.343 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 pttm . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.364 0.126 . . . . 1.14 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -63.97 -47.28 81.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.029 0.442 . . . . 2.11 110.303 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.38 -43.9 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.394 -0.821 . . . . 1.68 110.39 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 12' ' ' ILE . 44.5 mm -63.73 -51.81 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.595 -0.729 . . . . 0.96 110.152 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.54 72.82 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.302 -0.408 . . . . 0.25 111.565 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.21 78.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.33 110.618 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -38.07 89.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.539 -0.541 . . . . 1.56 109.539 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.514 HD13 HG23 ' B' ' 12' ' ' ILE . 66.4 mt -58.76 -57.31 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 0.25 112.067 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.54 -37.76 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.18 110.854 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -63.17 -34.63 78.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.57 110.722 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.421 ' O ' HG12 ' A' ' 19' ' ' ILE . 69.6 t80 -68.53 -46.05 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 1.4 110.749 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -65.08 -34.09 77.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 1.05 110.667 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -61.95 -33.15 73.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 0.9 109.958 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.515 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.3 t -73.73 -43.36 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.84 110.122 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 15' ' ' TYR . 47.3 mm -60.07 -44.74 95.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.255 -0.43 . . . . 0.28 111.37 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.11 -33.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.598 0.237 . . . . 0.34 111.001 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.46 -45.95 85.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.923 0.392 . . . . 2.49 110.85 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.515 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.3 mttm -78.03 -6.78 55.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 1.42 110.817 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 56.99 39.01 29.67 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.072 -0.967 . . . . 1.79 111.486 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 36.9 mt-10 -77.55 -5.66 50.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.83 111.082 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.87 146.28 31.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.858 -0.423 . . . . 0.36 109.858 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -54.63 150.12 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 1.45 111.498 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -51.37 -49.48 61.41 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.51 0.559 . . . . 1.87 112.51 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.72 -41.96 99.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 1.85 110.357 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.81 99.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.31 111.839 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.05 82.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 0.24 111.02 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.09 -38.68 89.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 1.46 110.512 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -64.05 -32.35 73.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.92 110.332 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.1 mt -73.16 -35.91 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.21 110.521 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -58.32 -50.14 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.21 110.712 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.02 -29.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 0.25 110.584 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.475 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.83 -50.44 68.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.444 -0.344 . . . . 0.18 110.531 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.46 -40.68 75.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.21 111.472 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.61 -40.33 96.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 1.68 110.856 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.17 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.26 110.379 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.1 mt -70.89 -48.19 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.16 111.09 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.602 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 12.1 p -61.71 -43.52 98.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.348 . . . . 1.13 111.049 -177.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 2.23 110.768 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.67 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.25 111.603 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -90.55 -2.95 57.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 1.15 111.195 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.31 57.22 7.71 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.686 -0.688 . . . . 0.43 113.005 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 25.3 p90 -144.04 167.19 22.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.84 0.352 . . . . 1.27 110.365 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -99.75 153.05 19.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.14 -0.482 . . . . 1.92 109.738 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -80.13 -18.87 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.981 0.42 . . . . 2.57 110.12 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -85.92 -13.35 48.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.024 -0.535 . . . . 2.23 110.878 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.69 2.42 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.48 110.942 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.1 m -49.84 -46.5 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.71 -0.677 . . . . 0.41 112.81 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.6 t -59.98 -45.6 92.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 1.24 110.831 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.77 83.89 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.962 -0.563 . . . . 0.59 112.828 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.72 -42.36 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.947 0.403 . . . . 0.57 110.299 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 87.2 mt . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 115.869 -0.605 . . . . 0.65 111.647 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 12.5 pttm . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.458 0.17 . . . . 1.14 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -64.04 -47.17 81.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.046 0.45 . . . . 2.11 110.338 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -60.44 -44.01 96.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.345 -0.843 . . . . 1.68 110.373 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.45 ' O ' HG13 ' B' ' 12' ' ' ILE . 44.1 mm -63.6 -51.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 0.96 110.206 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.54 72.55 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.336 -0.393 . . . . 0.24 111.603 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.13 78.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 0.33 110.601 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.06 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.432 -0.581 . . . . 1.56 109.432 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 12' ' ' ILE . 67.0 mt -58.6 -57.38 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.529 -0.759 . . . . 0.24 112.136 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.67 -37.55 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.44 . . . . 0.18 110.824 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -63.31 -34.6 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 0.57 110.742 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.419 ' O ' HG12 ' B' ' 19' ' ' ILE . 69.6 t80 -68.45 -46.11 70.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 1.39 110.718 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.09 -34.08 77.56 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.954 -0.298 . . . . 1.04 110.637 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 29.8 t -61.85 -33.25 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 0.9 109.859 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.514 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 23.0 t -73.86 -43.3 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.899 -0.591 . . . . 0.84 110.184 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 15' ' ' TYR . 47.6 mm -59.91 -44.93 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.28 111.417 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.03 -33.64 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.124 -0.23 . . . . 0.34 111.117 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.38 -46.29 83.97 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 2.49 110.831 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.514 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.1 mttm -77.81 -6.61 54.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.965 0.412 . . . . 1.41 110.752 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.88 39.12 29.7 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.134 -0.939 . . . . 1.79 111.347 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.52 -5.6 50.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 1.84 111.135 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.73 146.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.44 . . . . 0.36 109.945 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.63 149.96 10.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 1.47 111.44 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -51.24 -49.86 60.3 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.537 0.569 . . . . 1.87 112.537 -171.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.31 -42.19 99.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 1.84 110.413 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.84 99.75 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.3 111.803 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.12 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 0.24 111.102 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.06 -38.65 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 1.47 110.495 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -63.96 -32.45 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.87 -0.605 . . . . 0.92 110.375 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.13 -35.83 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.608 0.242 . . . . 0.21 110.478 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -58.37 -50.15 74.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.21 110.779 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.97 -29.94 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 0.26 110.675 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.65 -50.38 69.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.18 110.569 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.54 -40.8 75.72 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.149 -0.478 . . . . 0.21 111.467 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.61 -40.29 96.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 1.68 110.762 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -35.38 80.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.42 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 36' ' ' ALA . 82.3 mt -70.96 -47.98 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.16 111.068 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.607 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 11.0 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.496 -0.32 . . . . 1.13 111.131 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.9 -31.57 70.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 2.23 110.748 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.54 -51.75 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.688 0.28 . . . . 0.25 111.664 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -90.63 -2.65 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 1.15 111.288 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.03 57.37 7.78 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.536 -0.756 . . . . 0.43 113.029 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.607 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 25.2 p90 -144.43 166.48 25.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.89 0.345 . . . . 1.27 110.374 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -99.16 153.1 19.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 1.92 109.81 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -80.19 -18.65 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.005 0.431 . . . . 2.57 110.14 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -86.5 -12.61 48.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 2.24 110.874 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.1 2.38 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 0.48 111.042 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.0 m -49.85 -46.19 22.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 112.879 0.696 . . . . 0.41 112.879 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.4 t -60.4 -45.53 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 1.25 110.69 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.96 83.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.59 112.765 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 25.1 mt -74.56 -42.34 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.983 0.42 . . . . 0.57 110.291 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.8 mt . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 115.874 -0.603 . . . . 0.65 111.716 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.833 0.349 . . . . 7.31 110.661 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 31.3 m -88.81 162.44 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.29 -0.414 . . . . 5.19 110.433 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -145.05 61.16 1.31 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.846 -0.798 . . . . 5.73 108.846 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' B' ' 68' ' ' ILE . 8.5 t -100.08 25.64 7.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.161 -0.927 . . . . 2.89 109.787 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.92 -171.56 0.12 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.005 -0.998 . . . . 1.46 109.409 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.4 p -104.17 143.1 33.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.338 -0.616 . . . . 1.49 109.338 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.609 ' HE3' ' O ' ' B' ' 24' ' ' GLU . 14.6 pttm -51.84 -29.48 19.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.871 -1.059 . . . . 1.14 112.195 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -61.13 -56.99 14.46 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.014 0.435 . . . . 2.11 110.978 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -57.73 -44.39 85.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.526 -0.761 . . . . 1.68 110.903 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' HG13 ' A' ' 12' ' ' ILE . 39.0 mm -64.03 -47.82 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 0.96 110.765 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.33 -41.63 72.69 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 111.763 0.283 . . . . 0.25 111.763 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.92 92.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.058 0.456 . . . . 0.33 110.769 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD13 HD21 ' A' ' 70' ' ' ASN . 2.7 tm? -62.52 -41.27 98.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.849 -0.614 . . . . 1.56 109.38 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.518 HD13 HG23 ' B' ' 12' ' ' ILE . 74.8 mt -59.8 -56.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.136 -0.938 . . . . 0.25 112.19 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.31 -37.39 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.725 -0.39 . . . . 0.18 111.173 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.81 -33.25 74.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.894 0.378 . . . . 0.57 110.451 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.447 ' O ' HG12 ' A' ' 19' ' ' ILE . 79.4 t80 -65.25 -50.02 67.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 1.4 110.514 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' HB2' ' SD ' ' A' ' 37' ' ' MET . 28.8 m-85 -65.2 -33.78 76.81 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.992 -0.283 . . . . 1.05 110.729 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -62.94 -31.89 73.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.9 110.033 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.482 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 16.9 t -76.56 -38.59 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 0.84 110.21 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 15' ' ' TYR . 46.2 mm -62.08 -43.96 98.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.256 -0.429 . . . . 0.28 111.01 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -75.89 -28.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.678 0.275 . . . . 0.34 110.495 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.68 -54.57 45.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.416 0.627 . . . . 2.49 110.339 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 48.3 mttm -82.1 -3.51 54.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.277 -0.874 . . . . 1.42 110.782 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 56.94 41.67 27.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.964 -1.016 . . . . 1.79 111.458 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.613 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 30.9 mt-10 -75.71 -3.99 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 1.83 111.003 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.8 150.91 35.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 0.36 110.049 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -56.57 150.63 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.45 110.464 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.42 -27.71 69.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.97 -0.559 . . . . 1.87 111.643 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.71 -46.08 69.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.202 0.525 . . . . 1.85 109.635 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.64 -37.59 93.73 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.499 -0.773 . . . . 0.31 111.562 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.8 79.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.544 0.212 . . . . 0.24 111.232 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.38 -45.75 90.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.46 110.472 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 m -61.63 -34.14 75.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.92 110.842 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.92 -40.47 72.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 0.21 110.829 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -59.83 -48.54 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.21 111.132 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.0 m -70.54 -29.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.857 -0.337 . . . . 0.25 110.513 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.19 -52.72 61.18 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.469 -0.332 . . . . 0.18 110.26 175.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.43 ' SD ' ' HB2' ' A' ' 16' ' ' PHE . 73.8 mtm -58.28 -36.83 73.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.21 110.801 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.21 -44.32 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.899 -0.592 . . . . 1.68 110.778 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.1 m -69.42 -34.59 74.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 0.26 110.934 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 36' ' ' ALA . 92.6 mt -64.59 -49.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.127 0.489 . . . . 0.16 109.993 176.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.596 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 17.8 m -64.04 -34.62 78.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.492 -0.776 . . . . 1.13 110.379 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.42 -42.71 99.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.705 . . . . 2.23 110.947 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.73 65.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 0.25 112.159 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.04 -7.74 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.156 0.503 . . . . 1.15 111.852 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.25 57.29 6.94 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.691 -0.686 . . . . 0.43 113.2 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 24.1 p90 -142.07 169.83 16.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.051 0.425 . . . . 1.27 110.532 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.5 152.77 19.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.045 -0.525 . . . . 1.92 109.631 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.06 -16.98 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 2.57 109.897 -172.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -93.44 -4.78 50.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 2.23 110.734 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.27 -0.96 57.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.053 -0.521 . . . . 0.48 110.617 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.82 -36.94 11.9 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 CA-C-N 115.345 -0.843 . . . . 0.41 112.542 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 p -55.47 -56.5 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 1.24 111.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.14 -41.76 61.27 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.698 -0.683 . . . . 0.59 113.45 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' A' ' 57' ' ' LYS . 53.4 mt -75.67 -43.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 0.57 111.297 -177.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.66 -41.81 92.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.425 -0.352 . . . . 0.65 111.042 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.39 -15.81 53.03 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.845 -0.693 . . . . 0.91 112.706 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 54' ' ' ILE . 38.4 ttmt -80.36 -20.05 45.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.84 0.353 . . . . 2.22 110.225 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -127.15 111.52 14.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.849 0.357 . . . . 1.94 111.282 -174.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.76 -21.94 29.82 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.899 -0.321 . . . . 5.07 111.124 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 67.18 170.86 0.26 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.846 0.716 . . . . 2.78 110.578 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' NZ ' ' HA ' ' B' ' 67' ' ' ASP . 24.0 pttm -119.31 -8.55 10.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.017 0.437 . . . . 6.17 110.679 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.01 -47.76 0.12 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.986 -0.626 . . . . 3.3 111.61 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.457 ' HG2' ' HG2' ' B' ' 63' ' ' GLN . 56.7 mt-30 -64.13 -94.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 4.2 110.798 178.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 69.41 -85.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.84 -0.618 . . . . 7.06 111.249 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.3 mt -145.27 167.26 23.27 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.172 0.189 . . . . 6.82 110.525 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 78.18 -51.14 0.49 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.692 0.797 . . . . 3.2 112.258 173.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.506 ' HA ' ' NZ ' ' B' ' 61' ' ' LYS . 17.7 t0 -76.6 -24.77 53.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.459 0.647 . . . . 5.67 109.437 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.445 ' HA ' ' OG ' ' B' ' 2' ' ' SER . 12.9 pt -138.78 117.48 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.98 -1.009 . . . . 3.35 109.117 172.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 mp -91.06 -4.75 56.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.878 0.37 . . . . 3.56 111.14 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.433 HD21 HD13 ' A' ' 11' ' ' LEU . 5.6 p-10 -92.25 18.79 7.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.268 -0.423 . . . . 2.26 110.817 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.0 m -75.32 -34.78 61.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.118 0.485 . . . . 3.22 110.199 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.706 -0.679 . . . . 4.3 110.286 179.705 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.865 0.364 . . . . 7.31 110.565 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 31.6 m -88.45 162.9 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.352 -0.386 . . . . 5.19 110.421 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -145.29 60.99 1.29 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.802 0.811 . . . . 5.72 109.03 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 68' ' ' ILE . 8.5 t -100.21 25.94 7.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.074 -0.966 . . . . 2.88 109.748 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.87 -171.2 0.12 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.983 -1.008 . . . . 1.46 109.387 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 84.3 p -104.37 142.95 33.67 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.325 -0.62 . . . . 1.49 109.325 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.613 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 14.6 pttm -51.69 -29.38 17.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.829 -1.078 . . . . 1.14 112.176 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.33 -56.92 15.01 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.968 0.413 . . . . 2.11 110.994 173.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -57.9 -44.25 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.538 -0.755 . . . . 1.68 110.78 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 12' ' ' ILE . 38.9 mm -64.06 -47.85 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.601 -0.727 . . . . 0.96 110.767 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.41 -41.43 72.72 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 111.746 0.276 . . . . 0.24 111.746 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.79 93.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.136 0.493 . . . . 0.33 110.758 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.437 HD13 HD21 ' B' ' 70' ' ' ASN . 2.7 tm? -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.649 . . . . 1.56 109.376 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.518 HG23 HD13 ' A' ' 12' ' ' ILE . 74.5 mt -59.91 -56.21 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.156 -0.929 . . . . 0.24 112.14 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.22 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.831 -0.348 . . . . 0.18 111.137 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -62.91 -33.16 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.57 110.481 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.441 ' O ' HG12 ' B' ' 19' ' ' ILE . 79.3 t80 -65.36 -49.91 67.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 1.39 110.541 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.427 ' HB2' ' SD ' ' B' ' 37' ' ' MET . 28.9 m-85 -65.22 -33.81 76.88 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.957 -0.297 . . . . 1.04 110.731 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -62.92 -31.63 72.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 0.9 110.063 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.479 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 15.0 t -76.98 -38.48 53.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 0.84 110.112 177.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 15' ' ' TYR . 46.0 mm -61.99 -44.12 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.28 110.936 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.83 -28.57 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.511 -0.313 . . . . 0.34 110.487 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.67 -54.49 46.46 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.278 0.561 . . . . 2.49 110.356 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.479 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 48.6 mttm -82.39 -3.3 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.434 -0.803 . . . . 1.41 110.68 -176.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 57.05 41.71 27.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.96 -1.018 . . . . 1.79 111.409 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.609 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 30.7 mt-10 -75.81 -3.82 37.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 1.84 110.985 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -130.94 150.88 35.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.987 -0.375 . . . . 0.36 109.987 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -56.6 150.49 15.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.47 110.455 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.31 -27.8 69.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.96 -0.564 . . . . 1.87 111.644 -174.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.89 -45.79 70.03 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.682 -0.488 . . . . 1.84 109.682 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.46 93.56 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.3 111.615 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.59 -42.91 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.517 0.198 . . . . 0.24 111.123 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.31 -45.74 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 1.47 110.555 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -34.37 75.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 0.92 110.833 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.99 -40.41 71.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.737 0.303 . . . . 0.21 110.789 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -59.83 -48.61 80.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.21 111.087 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 m -70.45 -29.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 0.26 110.539 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.457 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.43 -52.62 60.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.463 -0.335 . . . . 0.18 110.169 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' B' ' 16' ' ' PHE . 73.9 mtm -58.37 -36.77 73.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.21 110.811 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.44 -43.99 97.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.953 -0.567 . . . . 1.68 110.772 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.0 m -69.65 -34.47 74.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.232 -0.44 . . . . 0.27 110.894 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 36' ' ' ALA . 93.3 mt -64.68 -49.08 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.165 0.507 . . . . 0.16 109.939 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.599 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -64.08 -34.75 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.559 -0.746 . . . . 1.13 110.444 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.42 -42.38 99.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.23 110.847 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -51.45 65.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.877 -0.601 . . . . 0.25 112.036 -176.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -91.26 -7.78 50.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 1.15 111.694 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.08 57.47 6.92 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.43 113.228 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 24.0 p90 -142.12 169.95 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.914 0.357 . . . . 1.27 110.448 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -100.44 152.91 19.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.955 -0.566 . . . . 1.92 109.557 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -79.04 -17.43 55.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.218 0.532 . . . . 2.57 109.978 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -93.22 -4.77 51.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.633 -0.712 . . . . 2.24 110.609 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 -0.85 57.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.036 0.446 . . . . 0.48 110.527 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.7 m -49.93 -36.93 12.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 115.409 -0.814 . . . . 0.41 112.628 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.298 . . . . 1.25 111.218 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.03 -41.79 60.25 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.692 -0.685 . . . . 0.59 113.288 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' B' ' 57' ' ' LYS . 53.5 mt -75.6 -43.31 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.003 0.43 . . . . 0.57 111.287 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.72 -41.97 91.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.45 -0.341 . . . . 0.65 110.915 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.17 -15.69 51.37 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.896 -0.668 . . . . 0.91 112.749 173.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.5 ' HB3' ' O ' ' B' ' 54' ' ' ILE . 38.4 ttmt -80.76 -20.27 43.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.934 0.397 . . . . 2.21 110.231 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -126.92 111.61 14.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.397 -0.365 . . . . 1.94 111.198 -174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -84.87 -21.71 29.65 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.943 -0.303 . . . . 5.06 111.131 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.409 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 75.9 m-85 66.84 170.29 0.25 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.6 0.562 . . . . 2.78 110.611 -176.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.506 ' NZ ' ' HA ' ' A' ' 67' ' ' ASP . 24.0 pttm -118.88 -8.56 10.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.002 0.429 . . . . 6.16 110.776 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -130.93 -47.68 0.13 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.518 -0.633 . . . . 3.3 111.518 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.457 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 56.7 mt-30 -64.21 -94.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 4.2 110.83 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 69.36 -85.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.764 -0.653 . . . . 7.07 111.181 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 93.3 mt -144.97 167.24 23.12 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.51 -0.182 . . . . 6.83 110.51 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 77.77 -51.0 0.52 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.041 0.838 . . . . 3.2 112.371 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.497 ' HA ' ' NZ ' ' A' ' 61' ' ' LYS . 18.6 t0 -76.34 -24.87 54.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.478 0.656 . . . . 5.67 109.521 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.428 ' HA ' ' OG ' ' A' ' 2' ' ' SER . 12.8 pt -138.85 117.54 13.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.922 -1.035 . . . . 3.35 109.222 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 mp -91.13 -4.36 56.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.982 0.42 . . . . 3.55 111.164 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.437 HD21 HD13 ' B' ' 11' ' ' LEU . 5.5 p-10 -92.53 18.85 7.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.161 -0.472 . . . . 2.27 110.865 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.2 m -75.38 -35.28 61.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.244 0.545 . . . . 3.23 110.169 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-N 115.624 -0.716 . . . . 4.3 110.042 179.278 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.532 0.206 . . . . 7.31 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 2' ' ' SER . 16.8 m -72.54 165.03 3.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.852 -0.158 . . . . 5.19 110.657 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.588 ' OD1' ' HG2' ' A' ' 61' ' ' LYS . 1.5 t70 80.12 -25.3 0.18 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.596 0.758 . . . . 5.73 110.382 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.447 ' H ' ' C ' ' A' ' 0' ' ' VAL . 10.6 t -53.14 -25.74 14.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.598 -1.183 . . . . 2.89 112.5 177.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.62 -161.27 0.09 Allowed 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.867 0.467 . . . . 1.46 110.853 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 8' ' ' ILE . 4.2 m -100.36 152.66 20.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.745 0.307 . . . . 1.49 110.282 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -63.14 -25.88 68.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.539 . . . . 1.14 111.248 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.42 -48.53 80.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.279 0.561 . . . . 2.11 110.02 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 1.68 110.569 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 4' ' ' SER . 32.8 mm -63.37 -50.07 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.96 110.274 177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.75 72.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.25 111.531 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.09 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.101 0.477 . . . . 0.33 110.542 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.66 -42.12 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.601 -0.727 . . . . 1.56 109.657 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.17 -55.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.019 -0.991 . . . . 0.25 112.303 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.78 -35.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.673 -0.411 . . . . 0.18 111.087 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -61.4 -31.51 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.57 110.456 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.539 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . 72.1 t80 -68.55 -47.68 66.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 1.4 110.726 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -65.9 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.796 -0.362 . . . . 1.05 110.696 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -60.78 -34.62 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.128 0.49 . . . . 0.9 109.982 174.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.538 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.8 t -72.54 -45.75 57.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.84 110.34 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -59.16 -44.8 92.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.408 -0.36 . . . . 0.28 111.431 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.57 -33.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.583 -0.28 . . . . 0.34 110.98 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.79 -48.52 78.77 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.962 0.41 . . . . 2.49 110.409 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.9 mttm -76.13 -6.12 49.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 1.42 110.808 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.13 41.83 31.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.964 -1.017 . . . . 1.79 111.571 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.6 -4.87 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.701 -0.682 . . . . 1.83 111.258 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.138 -0.319 . . . . 0.36 110.138 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -58.28 155.68 11.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.644 -0.707 . . . . 1.45 111.725 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.3 -42.85 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.729 0.3 . . . . 1.87 111.704 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.21 -42.77 96.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 1.85 110.084 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -43.43 91.37 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.737 -0.744 . . . . 0.31 111.858 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.42 75.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.668 0.27 . . . . 0.24 111.592 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.11 -39.84 83.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 1.46 110.744 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 m -65.07 -30.69 71.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 0.92 111.07 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.11 -35.49 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 0.21 110.472 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -61.75 -52.07 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.21 110.796 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.2 -31.51 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.972 -0.291 . . . . 0.25 110.447 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.34 -52.14 64.83 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.317 -0.402 . . . . 0.18 110.275 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mtm -56.33 -43.64 79.22 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.388 -0.369 . . . . 0.21 111.898 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.763 -0.199 . . . . 1.68 111.525 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -67.13 -39.96 86.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.26 110.62 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 36' ' ' ALA . 74.2 mt -65.88 -44.8 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.395 0.617 . . . . 0.16 109.965 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 29.7 t -55.4 -53.15 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.979 -1.01 . . . . 1.13 110.802 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.11 -38.53 86.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 2.23 111.099 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.92 52.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.433 . . . . 0.25 111.927 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.425 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 96.6 m-85 -89.4 -8.52 52.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.131 0.419 . . . . 1.15 112.131 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.83 48.78 32.31 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.43 113.048 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 14.7 p90 -137.53 160.75 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.852 -0.425 . . . . 1.27 109.852 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.7 153.99 19.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.261 -0.274 . . . . 1.92 110.261 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.2 -24.23 40.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 2.57 110.032 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.42 -14.67 39.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 2.23 110.745 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.98 0.9 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.48 111.037 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 18.3 m -50.54 -43.88 24.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.41 112.497 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 p -59.75 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 1.24 110.964 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.59 94.22 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.88 -0.6 . . . . 0.59 112.52 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 63.2 mt -69.24 -49.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.843 0.354 . . . . 0.57 110.719 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 85.9 mt -56.89 -31.68 65.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.65 111.509 178.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.71 -20.13 30.89 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.085 -0.578 . . . . 0.91 113.633 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HE2' ' HA ' ' A' ' 54' ' ' ILE . 48.7 mtmt -89.55 0.42 56.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.041 0.421 . . . . 2.22 111.224 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.8 p -54.06 126.95 24.6 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.43 0.634 . . . . 1.94 112.559 -173.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.0 -15.23 48.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.457 -0.792 . . . . 5.07 110.473 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.542 ' HA ' ' OD2' ' A' ' 1' ' ' ASP . 84.5 m-85 -51.91 111.61 0.64 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.97 -0.559 . . . . 2.78 112.023 -176.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.588 ' HG2' ' OD1' ' A' ' 1' ' ' ASP . 22.5 pttm -101.51 2.13 38.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.122 -0.49 . . . . 6.17 110.309 176.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.17 -19.36 60.99 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.848 -0.692 . . . . 3.3 111.525 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -66.34 130.67 44.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.614 -0.293 . . . . 4.2 110.43 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -165.74 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 7.06 110.723 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.62 165.04 20.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.025 0.44 . . . . 6.82 110.771 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.94 36.37 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.495 0.664 . . . . 3.2 109.967 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -82.74 -50.22 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.014 -0.994 . . . . 5.67 110.565 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.1 mt -78.16 87.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.312 0.577 . . . . 3.35 110.332 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.16 -22.36 62.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 3.56 110.897 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.539 ' ND2' ' HB2' ' A' ' 15' ' ' TYR . 12.0 p-10 -91.93 20.73 5.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.476 -0.784 . . . . 2.26 111.636 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 m -64.71 -23.92 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.038 0.447 . . . . 3.22 110.45 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.695 -0.669 . . . . 4.3 109.707 177.495 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.474 0.178 . . . . 7.31 111.06 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' VAL . . . . . 0.456 ' C ' ' H ' ' B' ' 2' ' ' SER . 17.5 m -72.69 165.16 3.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.836 -0.166 . . . . 5.19 110.625 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.583 ' OD1' ' HG2' ' B' ' 61' ' ' LYS . 1.4 t70 79.94 -24.98 0.19 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.487 0.715 . . . . 5.72 110.353 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.456 ' H ' ' C ' ' B' ' 0' ' ' VAL . 10.8 t -53.33 -25.84 16.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.664 -1.153 . . . . 2.88 112.465 177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.65 -161.77 0.09 Allowed 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 122.955 0.502 . . . . 1.46 110.707 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.496 ' O ' HG12 ' B' ' 8' ' ' ILE . 3.9 m -99.99 152.3 20.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 1.49 110.281 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -62.81 -26.04 68.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 1.14 111.346 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.21 -48.65 80.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.313 0.578 . . . . 2.11 109.962 172.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.09 -40.05 94.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.253 -0.885 . . . . 1.68 110.626 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.496 HG12 ' O ' ' B' ' 4' ' ' SER . 32.9 mm -63.26 -50.05 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 0.96 110.252 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.73 72.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.24 111.511 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.05 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.186 0.517 . . . . 0.33 110.521 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.61 -42.15 87.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 1.56 109.598 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.29 -55.57 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.98 -1.009 . . . . 0.24 112.266 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -65.68 -35.52 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.684 -0.407 . . . . 0.18 111.077 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -61.31 -31.72 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.57 110.436 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.536 ' HB2' ' ND2' ' B' ' 70' ' ' ASN . 71.9 t80 -68.37 -47.61 66.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.351 -0.386 . . . . 1.39 110.744 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -65.86 -34.73 78.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.836 -0.346 . . . . 1.04 110.809 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.129 0.49 . . . . 0.9 109.978 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.528 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 22.6 t -72.87 -45.44 58.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 0.84 110.36 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.51 -44.77 93.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.28 111.371 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -73.43 -33.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.068 -0.253 . . . . 0.34 110.856 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.46 -48.66 78.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 2.49 110.502 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.528 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.8 mttm -76.02 -6.12 49.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 1.41 110.745 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.09 42.3 31.65 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 114.849 -1.069 . . . . 1.79 111.457 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.84 -5.2 52.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 1.84 111.299 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.82 147.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.149 -0.315 . . . . 0.36 110.149 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -58.32 155.83 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.655 -0.702 . . . . 1.47 111.736 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.4 -42.84 70.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.766 0.317 . . . . 1.87 111.559 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.02 -43.14 96.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 1.84 110.08 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.6 91.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.873 -0.679 . . . . 0.3 111.886 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.56 -48.28 75.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.388 0.275 . . . . 0.24 111.616 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.26 -39.88 84.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.858 0.361 . . . . 1.47 110.694 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.8 m -64.84 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 0.92 110.957 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.18 -35.15 61.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.21 110.491 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -62.03 -52.07 65.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 0.21 110.869 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.21 -31.41 53.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 0.26 110.545 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.449 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.44 -52.03 65.16 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.319 -0.401 . . . . 0.18 110.317 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.41 -43.47 79.38 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.378 -0.374 . . . . 0.21 111.774 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.2 -37.72 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.52 0.192 . . . . 1.68 111.52 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 72.7 m -66.76 -40.03 88.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.855 0.36 . . . . 0.27 110.671 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.449 HG13 ' O ' ' B' ' 36' ' ' ALA . 74.1 mt -65.83 -44.8 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.404 0.621 . . . . 0.16 110.018 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 29.3 t -55.56 -53.35 57.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.972 -1.013 . . . . 1.13 110.643 177.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.78 -38.62 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 2.23 111.112 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.94 -53.78 53.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.25 111.822 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 96.5 m-85 -89.44 -8.74 52.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.222 0.453 . . . . 1.15 112.222 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.35 48.29 31.48 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 116.052 -0.522 . . . . 0.43 113.224 176.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 14.8 p90 -137.36 160.59 38.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 1.27 109.918 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -90.64 153.83 20.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.756 0.313 . . . . 1.92 110.176 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -80.06 -24.07 40.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 2.57 110.026 -173.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -87.55 -14.76 39.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 2.24 110.762 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.65 0.63 46.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 0.48 111.031 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 18.1 m -50.44 -43.89 23.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.476 -0.784 . . . . 0.41 112.503 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -59.73 -48.35 82.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 1.25 111.012 -178.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.82 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.728 -0.669 . . . . 0.59 112.533 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.408 ' HA ' ' HE2' ' B' ' 57' ' ' LYS . 63.3 mt -69.14 -49.58 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.838 0.352 . . . . 0.57 110.613 -179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.1 mt -56.86 -31.79 65.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 0.65 111.496 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.4 -20.65 30.73 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 120.921 -0.657 . . . . 0.91 113.626 173.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' B' ' 54' ' ' ILE . 48.7 mtmt -89.43 0.95 56.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.104 0.452 . . . . 2.21 111.292 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 18.8 p -54.37 127.04 25.66 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.331 0.586 . . . . 1.94 112.493 -173.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -84.26 -15.05 48.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.425 -0.807 . . . . 5.06 110.425 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.536 ' HA ' ' OD2' ' B' ' 1' ' ' ASP . 84.3 m-85 -51.63 111.82 0.66 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.001 -0.545 . . . . 2.78 112.002 -176.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.583 ' HG2' ' OD1' ' B' ' 1' ' ' ASP . 22.5 pttm -101.36 1.57 38.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.436 . . . . 6.16 110.415 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.84 -19.23 61.84 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.83 -0.7 . . . . 3.3 111.605 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -66.61 130.49 43.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.532 -0.334 . . . . 4.2 110.448 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -165.56 -30.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.339 -0.392 . . . . 7.07 110.752 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.51 164.99 20.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.207 -0.451 . . . . 6.83 110.713 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.94 36.74 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.482 0.658 . . . . 3.2 109.87 175.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -82.94 -50.23 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.868 -1.06 . . . . 5.67 110.581 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.0 mt -78.15 87.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.237 0.541 . . . . 3.35 110.379 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.13 -21.99 62.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.823 -0.626 . . . . 3.55 110.91 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.536 ' ND2' ' HB2' ' B' ' 15' ' ' TYR . 11.8 p-10 -92.27 20.85 5.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.342 -0.844 . . . . 2.27 111.558 -176.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 65.1 m -64.85 -23.55 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.037 0.446 . . . . 3.23 110.662 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.683 -0.675 . . . . 4.3 109.983 177.453 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 110.122 -0.325 . . . . 7.31 110.122 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.44 154.12 32.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.02 0.438 . . . . 5.19 110.16 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -155.53 -34.03 0.09 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.716 -0.675 . . . . 5.73 110.255 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t -43.13 -55.21 4.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.861 -1.063 . . . . 2.89 110.778 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.71 167.33 29.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 1.46 110.073 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 t -98.73 148.05 24.26 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.447 0.641 . . . . 1.49 109.825 176.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 10.7 ptpp? -67.35 -22.4 65.59 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.882 -1.054 . . . . 1.14 110.175 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.44 -41.03 85.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.591 -0.731 . . . . 2.11 110.533 175.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.99 -41.53 82.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.026 -0.534 . . . . 1.68 110.746 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.77 -43.0 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.184 -0.462 . . . . 0.96 110.417 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.53 67.86 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.475 -0.33 . . . . 0.25 110.908 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.23 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.33 110.612 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.59 -40.22 82.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.208 0.528 . . . . 1.56 110.809 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.18 -53.14 49.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.245 -0.889 . . . . 0.25 111.96 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.42 -30.94 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.586 -0.446 . . . . 0.18 110.548 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.42 -40.37 86.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.206 0.527 . . . . 0.57 110.129 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.442 ' OH ' ' HA ' ' B' ' 5' ' ' LYS . 48.7 t80 -61.17 -55.23 34.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.514 -0.766 . . . . 1.4 110.878 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.82 -34.6 78.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.394 -0.367 . . . . 1.05 111.013 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.9 m -61.59 -42.13 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 0.9 110.334 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -66.88 -42.13 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.84 110.326 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 24' ' ' GLU . 37.2 mm -60.84 -47.6 92.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.059 -0.519 . . . . 0.28 111.42 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.77 -32.42 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 121.102 -0.239 . . . . 0.34 111.407 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.38 -44.42 97.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.02 0.438 . . . . 2.49 110.778 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 88.7 mttt -83.59 -6.35 59.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 1.42 110.438 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt 55.43 42.61 29.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.927 -1.033 . . . . 1.79 111.286 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' A' ' 22' ' ' LYS . 13.5 mm-40 -70.94 -9.42 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 1.83 110.714 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.7 tt -124.99 149.89 29.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.282 -0.636 . . . . 0.36 109.282 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -60.71 162.19 6.95 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.194 0.309 . . . . 1.45 111.76 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -49.77 -54.22 20.38 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.76 -0.655 . . . . 1.87 112.397 -172.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.58 -43.18 99.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.85 110.997 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.05 98.15 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.933 -0.651 . . . . 0.31 111.982 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.04 75.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 0.24 111.393 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.22 -38.48 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 1.46 110.681 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -65.55 -30.87 71.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 0.92 110.253 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.42 -36.55 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.21 110.499 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -59.18 -50.53 73.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.21 110.904 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -31.95 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.52 -0.309 . . . . 0.25 110.431 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.16 -48.31 78.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.18 110.562 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.17 -43.64 82.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.21 111.889 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.32 -29.88 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.853 -0.339 . . . . 1.68 110.761 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.34 -38.23 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 0.26 109.977 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 36' ' ' ALA . 80.0 mt -63.64 -40.18 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.16 109.368 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -64.53 -41.79 96.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.155 -0.929 . . . . 1.13 110.259 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.18 -21.96 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.913 -0.585 . . . . 2.23 110.957 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.59 23.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.25 111.895 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.431 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 86.3 m-85 -106.62 -12.77 15.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.807 0.669 . . . . 1.15 112.807 -173.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.44 57.03 5.76 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.222 -0.513 . . . . 0.43 112.777 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 6.3 p90 -147.28 164.58 32.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.757 0.278 . . . . 1.27 110.505 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.69 157.93 16.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.288 -0.414 . . . . 1.92 110.022 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -79.82 -13.08 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 2.57 110.272 -176.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.32 -20.76 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 2.23 110.531 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.82 -3.84 49.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.48 111.027 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.4 m -47.04 -48.14 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 115.525 -0.761 . . . . 0.41 112.692 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 p -60.47 -44.74 95.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 1.24 111.217 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.76 -42.64 91.67 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.59 112.537 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.44 -49.79 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.071 0.462 . . . . 0.57 110.703 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 81.7 mt -55.76 -44.22 77.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.565 -0.743 . . . . 0.65 111.896 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.52 -7.99 8.71 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.147 -0.549 . . . . 0.91 114.041 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -83.76 -17.01 42.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.405 -0.468 . . . . 2.22 110.829 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -142.22 135.53 28.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 1.94 111.006 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -16.61 46.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.281 -0.418 . . . . 5.07 110.463 177.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 71.99 -34.59 0.3 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.679 0.791 . . . . 2.78 111.561 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? 61.42 93.0 0.05 OUTLIER 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.714 0.769 . . . . 6.17 111.756 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.11 -32.91 2.14 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.034 -0.985 . . . . 3.3 110.806 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.457 ' NE2' ' H ' ' A' ' 72' ' ' ALA . 13.6 pt20 -92.91 149.16 21.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.207 -0.497 . . . . 4.2 110.689 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 179.53 -63.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.19 -0.914 . . . . 7.06 108.668 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.47 121.94 9.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.694 -0.684 . . . . 6.82 109.489 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.83 -160.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.005 -0.543 . . . . 3.2 109.812 -175.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -34.93 73.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.133 0.492 . . . . 5.67 110.276 173.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.43 96.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 3.35 110.767 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.37 -27.83 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.554 . . . . 3.56 110.616 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.419 ' HB3' ' HB2' ' A' ' 15' ' ' TYR . 4.3 p-10 -81.35 19.76 0.94 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.855 -0.611 . . . . 2.26 111.524 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.5 t -63.23 136.34 57.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.154 -0.475 . . . . 3.22 110.634 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' H ' ' NE2' ' A' ' 63' ' ' GLN . . . . . . . . 0 C--O 1.254 1.294 0 CA-C-O 118.824 -0.607 . . . . 4.3 110.264 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.075 -0.343 . . . . 7.31 110.075 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.71 153.92 31.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.043 0.449 . . . . 5.19 110.109 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -155.41 -34.17 0.09 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.66 -0.7 . . . . 5.72 110.187 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -43.2 -54.66 4.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.913 -1.04 . . . . 2.88 110.867 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.27 166.97 30.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.385 -0.37 . . . . 1.46 110.069 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.1 t -98.68 148.1 24.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.572 0.701 . . . . 1.49 109.726 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.442 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 10.7 ptpp? -67.4 -22.26 65.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.758 -1.11 . . . . 1.14 110.146 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.47 -40.92 85.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.627 -0.715 . . . . 2.11 110.505 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.36 -41.3 80.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 1.68 110.687 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 64.5 mt -68.87 -42.92 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.195 -0.457 . . . . 0.96 110.426 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.59 67.88 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.527 -0.306 . . . . 0.24 110.886 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.27 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.33 110.687 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.56 -40.3 82.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.166 0.507 . . . . 1.56 110.764 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.21 -53.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.26 -0.882 . . . . 0.24 112.008 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.46 -30.74 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.651 -0.419 . . . . 0.18 110.632 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -59.57 -40.39 87.19 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.187 0.518 . . . . 0.57 110.018 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.435 ' OH ' ' HA ' ' A' ' 5' ' ' LYS . 48.5 t80 -61.22 -55.22 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.424 -0.807 . . . . 1.39 110.836 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -63.71 -34.75 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 1.04 111.035 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 66.5 m -61.72 -41.66 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 0.9 110.334 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -67.31 -42.08 84.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.84 110.299 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' B' ' 24' ' ' GLU . 36.9 mm -60.89 -47.44 93.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.132 -0.485 . . . . 0.28 111.425 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.72 -32.56 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.218 -0.193 . . . . 0.34 111.374 -177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.5 -44.12 97.65 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.073 0.463 . . . . 2.49 110.737 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.514 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 88.6 mttt -83.76 -6.52 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.309 0.576 . . . . 1.41 110.542 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt 55.65 42.59 29.29 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 114.781 -1.1 . . . . 1.79 111.282 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' B' ' 22' ' ' LYS . 13.1 mm-40 -71.06 -9.46 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.691 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.67 150.18 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.337 -0.616 . . . . 0.36 109.337 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.8 t -60.92 162.12 7.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.733 0.301 . . . . 1.47 111.675 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -49.56 -54.62 17.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.628 -0.714 . . . . 1.87 112.332 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.28 -43.64 98.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 1.84 110.793 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.01 98.38 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.733 -0.667 . . . . 0.3 112.097 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.14 76.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.704 0.288 . . . . 0.24 111.267 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.97 -38.65 91.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.871 0.367 . . . . 1.47 110.614 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.8 t -65.18 -31.01 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.969 -0.559 . . . . 0.92 110.379 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.45 -36.59 63.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 0.21 110.488 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.17 -50.5 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.21 110.972 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.31 -31.92 53.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.754 0.311 . . . . 0.26 110.584 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.22 -48.25 79.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.226 -0.443 . . . . 0.18 110.546 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mtm -57.11 -43.72 82.55 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.21 111.885 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.61 -29.6 68.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 1.68 110.624 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.34 -38.47 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.213 0.53 . . . . 0.27 109.956 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 36' ' ' ALA . 78.9 mt -63.59 -40.18 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.438 0.637 . . . . 0.16 109.361 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.9 m -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 1.13 110.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.92 -22.4 66.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.943 -0.571 . . . . 2.23 110.977 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.25 -41.69 24.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.25 111.805 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.425 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 86.0 m-85 -106.77 -12.52 15.5 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.757 0.651 . . . . 1.15 112.757 -173.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.43 56.72 5.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.257 -0.496 . . . . 0.43 112.838 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 6.3 p90 -147.19 164.37 33.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.888 0.344 . . . . 1.27 110.441 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -101.46 157.86 16.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 1.92 110.001 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -79.79 -12.72 59.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.068 0.461 . . . . 2.57 110.409 -176.538 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -92.7 -20.5 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 2.24 110.501 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.0 -3.73 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.48 110.97 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.656 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.3 m -47.11 -48.04 8.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.568 -0.742 . . . . 0.41 112.704 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -60.73 -44.81 96.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.673 0.273 . . . . 1.25 111.261 -175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -42.34 90.97 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.987 -0.551 . . . . 0.59 112.594 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -72.75 -49.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.982 0.42 . . . . 0.57 110.685 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 81.9 mt -55.63 -44.19 76.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.662 -0.699 . . . . 0.65 111.938 -178.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.61 -7.88 8.7 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 121.115 -0.564 . . . . 0.91 114.065 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -83.84 -16.8 43.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.072 0.436 . . . . 2.21 110.915 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -142.31 135.74 29.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.044 0.45 . . . . 1.94 110.963 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.18 -16.83 45.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 5.06 110.43 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 72.13 -34.28 0.29 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.582 0.753 . . . . 2.78 111.674 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? 61.02 92.95 0.05 OUTLIER 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.459 0.647 . . . . 6.16 111.737 173.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.13 -32.46 2.18 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.718 -0.953 . . . . 3.3 110.718 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.456 ' NE2' ' H ' ' B' ' 72' ' ' ALA . 13.6 pt20 -93.46 149.3 21.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.218 -0.491 . . . . 4.2 110.661 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 179.32 -62.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.291 -0.868 . . . . 7.07 108.777 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 60.9 tp -148.05 121.8 9.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.52 -0.764 . . . . 6.83 109.4 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.77 -160.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.907 -0.588 . . . . 3.2 109.998 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -34.85 73.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.071 0.462 . . . . 5.67 110.244 173.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.54 96.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.598 -0.728 . . . . 3.35 110.754 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -73.26 -27.67 61.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.025 -0.534 . . . . 3.55 110.697 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.416 ' HB3' ' HB2' ' B' ' 15' ' ' TYR . 4.3 p-10 -81.56 19.64 1.0 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.887 -0.597 . . . . 2.27 111.456 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.0 t -62.96 136.88 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 3.23 110.637 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.456 ' H ' ' NE2' ' B' ' 63' ' ' GLN . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.551 -0.738 . . . . 4.3 110.21 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.675 0.274 . . . . 7.31 110.652 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 33.7 m -112.1 160.95 11.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.872 0.368 . . . . 5.19 111.018 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.461 ' HB3' ' HB2' ' B' ' 67' ' ' ASP . 9.7 t70 -129.39 23.86 5.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.621 0.724 . . . . 5.73 109.674 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -82.48 -172.86 4.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.163 -0.926 . . . . 2.89 109.972 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.45 ' HB3' HD11 ' A' ' 8' ' ' ILE . . . -157.86 167.27 30.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.014 0.435 . . . . 1.46 111.166 -175.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -95.33 135.06 37.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.724 -0.671 . . . . 1.49 109.941 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' B' ' 24' ' ' GLU . 19.0 pttp -68.51 -39.17 81.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.664 -0.698 . . . . 1.14 112.278 -173.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.91 -50.59 70.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 2.11 110.525 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.16 -35.66 81.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.533 -0.758 . . . . 1.68 111.278 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.497 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 18.6 mt -69.46 -43.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.741 -0.384 . . . . 0.96 110.724 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.9 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.25 111.006 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.25 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 0.33 110.652 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.56 -44.33 96.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.342 0.592 . . . . 1.56 109.479 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.461 HD13 HG23 ' B' ' 12' ' ' ILE . 89.7 mt -59.69 -53.05 53.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.957 -1.02 . . . . 0.25 112.04 -177.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.67 -35.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.517 -0.473 . . . . 0.18 110.795 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -59.09 -42.8 91.31 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.083 0.468 . . . . 0.57 110.442 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.506 ' O ' HG12 ' A' ' 19' ' ' ILE . 74.6 t80 -63.61 -50.15 70.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.772 -0.649 . . . . 1.4 110.767 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -65.02 -35.57 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.788 -0.365 . . . . 1.05 111.034 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 m -61.02 -40.22 92.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.937 -0.394 . . . . 0.9 109.937 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.6 t -66.97 -42.11 85.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.84 110.112 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 15' ' ' TYR . 42.3 mm -60.9 -47.96 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.28 111.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.65 -36.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.076 -0.25 . . . . 0.34 111.398 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.24 -43.92 96.7 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.905 0.383 . . . . 2.49 110.794 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -85.33 -1.36 56.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.264 0.554 . . . . 1.42 110.903 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 55.38 46.35 23.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.789 -1.096 . . . . 1.79 111.784 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB2' HG23 ' A' ' 19' ' ' ILE . 43.3 mm-40 -80.71 -3.46 50.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.77 -0.65 . . . . 1.83 110.568 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.8 tt -132.06 149.14 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.914 -0.585 . . . . 0.36 109.512 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -61.16 161.85 8.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 1.45 112.081 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -49.67 -57.05 7.96 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.29 0.848 . . . . 1.87 113.29 -172.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.56 -37.55 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 1.85 110.525 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -60.62 -47.09 92.89 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.758 -0.734 . . . . 0.31 111.557 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.22 82.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.671 0.272 . . . . 0.24 111.371 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.67 -39.82 92.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.851 0.358 . . . . 1.46 110.736 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 m -64.31 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.92 110.718 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 93.8 mt -76.13 -33.84 59.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.554 -0.294 . . . . 0.21 110.591 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.07 -49.82 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.21 110.659 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.2 m -68.79 -28.42 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 0.25 110.552 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -65.14 -53.29 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.18 110.511 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.07 -37.54 74.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.369 -0.378 . . . . 0.21 110.997 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.1 -46.33 85.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.537 -0.756 . . . . 1.68 110.676 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.77 -34.88 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.26 111.132 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 36' ' ' ALA . 91.9 mt -65.1 -49.16 80.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.141 0.496 . . . . 0.16 110.383 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.624 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 18.6 m -62.22 -40.43 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 1.13 110.471 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.54 -36.73 84.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 2.23 111.098 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.03 62.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.519 -0.31 . . . . 0.25 111.698 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.79 -5.78 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 1.15 111.434 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.13 9.81 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.43 113.19 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.624 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 21.5 p90 -141.46 170.0 16.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.017 0.408 . . . . 1.27 110.797 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -103.1 155.52 18.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 1.92 110.132 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -80.64 -14.98 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.156 0.503 . . . . 2.57 110.14 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.39 -8.07 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.864 -0.607 . . . . 2.23 110.608 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.56 -3.64 57.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 0.48 110.866 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.497 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.7 m -54.28 -41.08 50.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 112.828 0.677 . . . . 0.41 112.828 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 t -61.76 -50.97 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.372 . . . . 1.24 110.44 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.47 72.49 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.775 -0.648 . . . . 0.59 112.994 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -74.06 -53.84 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.57 111.015 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 90.2 mt -61.97 -17.92 58.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.469 -0.787 . . . . 0.65 113.074 -175.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.0 -5.85 66.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.546 -0.835 . . . . 0.91 113.043 -171.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -130.2 0.25 4.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.889 0.376 . . . . 2.22 110.734 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.425 ' OG ' ' HA ' ' A' ' 55' ' ' LEU . 34.6 m -66.04 162.99 18.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.468 0.651 . . . . 1.94 112.011 -171.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -88.64 2.13 53.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.247 -0.888 . . . . 5.07 111.851 -171.247 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.439 ' CZ ' HG12 ' A' ' 8' ' ' ILE . 50.8 m-85 -51.26 143.37 11.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.924 0.392 . . . . 2.78 111.653 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -73.61 83.61 1.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.371 -0.603 . . . . 6.17 109.371 176.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.61 -148.22 19.8 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.724 -0.95 . . . . 3.3 110.724 -175.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 52.8 mm-40 67.1 130.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.398 0.679 . . . . 4.2 110.558 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' A' ' 63' ' ' GLN . 50.9 m-70 78.98 -53.95 0.45 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.291 0.636 . . . . 7.06 109.595 -174.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.03 165.61 11.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.753 -0.658 . . . . 6.82 110.307 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 75.7 178.78 0.18 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.057 0.848 . . . . 3.2 111.979 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.477 ' HB2' ' HB3' ' B' ' 1' ' ' ASP . 10.2 m-20 -78.13 -45.68 22.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.363 -0.38 . . . . 5.67 110.185 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 67' ' ' ASP . 59.4 mt 77.09 141.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.74 0.781 . . . . 3.35 111.899 174.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' H ' ' HG ' ' A' ' 69' ' ' LEU . 3.3 pp -90.32 -29.51 18.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.203 -0.908 . . . . 3.56 111.305 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -97.99 21.5 10.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.445 . . . . 2.26 111.844 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -48.63 116.0 1.45 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.425 0.453 . . . . 3.22 111.695 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.591 -0.718 . . . . 4.3 109.791 178.292 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.675 0.274 . . . . 7.31 110.517 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 33.6 m -112.01 161.34 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.024 0.44 . . . . 5.19 111.008 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 67' ' ' ASP . 9.6 t70 -129.8 23.59 5.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.741 0.782 . . . . 5.72 109.729 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -82.47 -172.74 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.106 -0.952 . . . . 2.88 109.989 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.448 ' HB3' HD11 ' B' ' 8' ' ' ILE . . . -157.87 167.33 30.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.904 0.383 . . . . 1.46 111.179 -175.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.1 m -95.29 134.99 37.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.698 -0.683 . . . . 1.49 109.984 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -68.38 -39.39 81.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.758 -0.656 . . . . 1.14 112.344 -173.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.86 -50.39 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.206 0.527 . . . . 2.11 110.61 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.06 -35.71 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.433 -0.803 . . . . 1.68 111.348 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.455 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 18.6 mt -69.41 -43.46 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.67 -0.412 . . . . 0.96 110.7 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.66 -39.0 70.33 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.767 0.318 . . . . 0.24 111.028 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.35 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.33 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.46 -44.28 96.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.314 0.578 . . . . 1.56 109.494 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.461 HG23 HD13 ' A' ' 12' ' ' ILE . 89.1 mt -59.75 -52.94 55.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 114.945 -1.025 . . . . 0.24 112.07 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.73 -35.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.568 -0.453 . . . . 0.18 110.836 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -59.0 -42.75 90.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.57 110.397 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.512 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.6 t80 -63.78 -50.12 70.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 1.39 110.692 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -64.91 -35.56 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.824 -0.351 . . . . 1.04 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.5 m -60.98 -40.44 93.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.888 -0.412 . . . . 0.9 109.888 176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -66.72 -42.16 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 0.84 110.161 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 15' ' ' TYR . 42.4 mm -61.02 -47.89 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 0.28 111.308 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -74.81 -36.17 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.114 -0.235 . . . . 0.34 111.466 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.77 -43.36 96.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.984 0.421 . . . . 2.49 110.903 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -85.65 -1.42 57.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.129 0.49 . . . . 1.41 110.742 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.61 45.68 24.3 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.042 -0.981 . . . . 1.79 112.001 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.432 ' O ' ' HE2' ' A' ' 5' ' ' LYS . 43.4 mm-40 -80.16 -3.76 50.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.734 -0.666 . . . . 1.84 110.662 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 tt -131.64 149.25 32.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.818 -0.628 . . . . 0.36 109.504 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -61.44 162.12 8.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.168 0.433 . . . . 1.47 112.168 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -49.84 -57.17 7.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.25 0.833 . . . . 1.87 113.25 -171.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.48 -37.72 88.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.034 0.445 . . . . 1.84 110.435 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -60.33 -47.46 90.97 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.702 -0.761 . . . . 0.3 111.509 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.14 82.31 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.426 0.29 . . . . 0.24 111.446 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.55 -40.13 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.899 0.38 . . . . 1.47 110.643 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -64.15 -31.02 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.92 110.686 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 93.7 mt -75.96 -33.87 59.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.533 -0.303 . . . . 0.21 110.526 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -61.19 -49.57 76.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.403 -0.362 . . . . 0.21 110.735 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.92 -28.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.26 110.562 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.471 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -65.27 -53.4 44.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.18 110.366 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.9 mtm -57.97 -37.5 74.31 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.374 -0.376 . . . . 0.21 110.905 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.32 -46.15 86.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.565 -0.743 . . . . 1.68 110.701 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -71.71 -34.99 70.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 0.27 111.173 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 36' ' ' ALA . 91.7 mt -65.0 -49.14 81.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.131 0.491 . . . . 0.16 110.325 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.623 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 17.9 m -62.23 -40.45 96.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.572 -0.74 . . . . 1.13 110.552 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.39 -37.1 85.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.986 -0.552 . . . . 2.23 110.997 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -52.7 64.41 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.844 0.313 . . . . 0.25 111.844 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -91.31 -5.43 54.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 1.15 111.48 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.58 55.34 10.04 Favored Glycine 0 C--N 1.332 0.333 0 CA-C-N 115.461 -0.79 . . . . 0.43 113.163 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.623 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 21.3 p90 -141.77 169.76 16.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.92 0.36 . . . . 1.27 110.793 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -102.98 155.54 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.92 109.955 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -80.58 -15.17 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.056 0.455 . . . . 2.57 110.075 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.56 -7.24 55.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.966 -0.561 . . . . 2.24 110.736 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 -3.5 56.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.002 -0.544 . . . . 0.48 110.823 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 27.5 m -54.56 -41.44 54.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 115.762 -0.654 . . . . 0.41 112.764 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -61.14 -51.18 70.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 1.25 110.412 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.51 -38.89 72.25 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.903 -0.59 . . . . 0.59 113.188 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.33 -53.75 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.931 0.396 . . . . 0.57 111.106 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 89.9 mt -62.15 -18.02 59.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.348 -0.842 . . . . 0.65 112.991 -175.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.01 -5.68 65.96 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.571 -0.823 . . . . 0.91 112.984 -171.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -130.01 -0.17 4.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.819 0.309 . . . . 2.21 110.749 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.429 ' OG ' ' HA ' ' B' ' 55' ' ' LEU . 33.6 m -65.49 163.04 16.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.513 0.673 . . . . 1.94 112.058 -171.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' B' ' 59' ' ' GLU . 0.4 OUTLIER -88.76 2.13 53.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.16 -0.927 . . . . 5.06 111.937 -171.432 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.439 ' CZ ' HG12 ' B' ' 8' ' ' ILE . 51.7 m-85 -51.14 143.44 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 2.78 111.637 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' B' ' 61' ' ' LYS . 0.1 OUTLIER -73.77 84.01 1.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.257 -0.645 . . . . 6.16 109.257 176.054 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.21 -148.34 20.02 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.835 -0.906 . . . . 3.3 110.835 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.52 ' O ' ' HB2' ' B' ' 64' ' ' HIS . 52.5 mm-40 67.15 130.46 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.346 0.658 . . . . 4.2 110.535 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . 0.52 ' HB2' ' O ' ' B' ' 63' ' ' GLN . 50.5 m-70 78.8 -53.62 0.46 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.329 0.652 . . . . 7.07 109.648 -174.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.12 165.55 11.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.739 -0.664 . . . . 6.83 110.28 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 75.63 178.55 0.19 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.081 0.863 . . . . 3.2 112.064 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.461 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 11.4 m-20 -78.15 -45.36 23.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.171 -0.468 . . . . 5.67 110.04 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 59.1 mt 76.81 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.668 0.747 . . . . 3.35 111.887 174.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' B' ' 69' ' ' LEU . 3.3 pp -90.14 -29.8 18.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.28 -0.873 . . . . 3.55 111.218 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -97.73 21.22 10.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.387 . . . . 2.27 111.915 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -48.5 115.4 1.22 Allowed 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.413 0.446 . . . . 3.23 111.597 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.538 -0.744 . . . . 4.3 109.744 178.271 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.992 0.425 . . . . 7.31 110.629 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.14 161.59 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.775 0.322 . . . . 5.19 110.502 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -99.96 19.04 16.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.263 -0.426 . . . . 5.73 111.106 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -48.32 -52.11 23.0 Favored 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 109.359 -0.608 . . . . 2.89 109.359 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.72 130.23 55.36 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 107.722 -1.214 . . . . 1.46 107.722 165.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.2 m -101.7 137.06 40.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.466 0.65 . . . . 1.49 109.892 -175.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.537 ' HA ' ' OH ' ' B' ' 15' ' ' TYR . 17.9 pttp -59.4 -36.27 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.571 -1.195 . . . . 1.14 113.042 -170.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.29 -43.48 86.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.69 0.281 . . . . 2.11 110.724 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.29 -50.91 69.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.293 0.568 . . . . 1.68 110.3 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.409 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 mm -65.54 -45.56 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.397 -0.82 . . . . 0.96 110.856 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.36 71.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.687 0.28 . . . . 0.25 111.416 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 0.33 110.491 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.12 -40.21 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.856 -0.611 . . . . 1.56 109.734 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.455 HG12 HG12 ' B' ' 12' ' ' ILE . 74.3 mt -62.02 -54.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 0.25 112.196 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.8 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 0.18 110.986 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.05 -37.35 76.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.185 0.517 . . . . 0.57 110.312 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.521 ' OH ' ' HA ' ' B' ' 5' ' ' LYS . 83.6 t80 -63.48 -51.85 63.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 1.4 110.616 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.39 -35.29 80.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.559 -0.292 . . . . 1.05 110.71 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -60.9 -35.51 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.12 0.486 . . . . 0.9 110.026 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 48.6 m -73.93 -41.14 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.84 110.974 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.9 mm -63.05 -44.02 99.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.45 -0.341 . . . . 0.28 111.1 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -74.22 -31.63 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.684 -0.235 . . . . 0.34 110.957 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.49 -50.92 72.0 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.333 0.587 . . . . 2.49 110.633 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 18' ' ' SER . 46.1 mttm -86.37 -3.2 58.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 1.42 110.968 -174.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.95 45.22 29.25 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.667 -1.152 . . . . 1.79 112.197 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.05 9.09 15.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.83 110.568 177.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.15 151.24 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 0.36 109.253 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -54.2 140.41 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 1.45 110.168 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.95 -27.43 69.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.932 -0.576 . . . . 1.87 112.02 -170.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.79 -46.6 78.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.282 0.563 . . . . 1.85 109.506 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.32 -34.8 86.38 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.339 -0.846 . . . . 0.31 111.81 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.93 83.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.709 0.29 . . . . 0.24 110.981 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.88 -37.53 84.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 1.46 110.352 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -65.59 -33.03 74.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.802 -0.636 . . . . 0.92 110.26 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.32 -34.6 65.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.21 110.468 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -60.22 -51.53 69.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.21 110.794 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.2 -28.65 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.25 110.763 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.99 -49.8 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.274 -0.421 . . . . 0.18 110.329 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.8 -37.64 76.79 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.21 111.647 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -41.63 99.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 1.68 111.055 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.64 -34.78 78.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.441 . . . . 0.26 110.405 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.7 mt -69.02 -47.07 77.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.524 . . . . 0.16 110.709 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 11.7 p -65.56 -37.43 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 1.13 111.011 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.01 -37.53 85.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 2.23 110.802 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -51.62 53.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.25 112.038 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 84.6 m-85 -94.62 -7.39 41.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.152 0.427 . . . . 1.15 112.152 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.75 30.11 Favored Glycine 0 C--O 1.229 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.43 113.066 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 14.9 p90 -135.28 165.01 26.42 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.642 -0.328 . . . . 1.27 110.554 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.98 149.51 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 1.92 110.032 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -20.73 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.008 0.432 . . . . 2.57 110.402 -173.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.01 -7.43 45.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 2.23 110.785 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.5 1.53 57.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.108 -0.496 . . . . 0.48 110.574 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.83 -36.59 15.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 115.455 -0.793 . . . . 0.41 112.755 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -61.86 -46.96 87.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.311 . . . . 1.24 110.776 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -39.42 83.78 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.861 -0.609 . . . . 0.59 112.825 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.29 -54.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.727 0.298 . . . . 0.57 111.069 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.3 -42.16 94.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.65 111.807 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.14 -14.69 33.57 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 121.015 -0.612 . . . . 0.91 113.752 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -84.29 -20.13 32.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.037 0.446 . . . . 2.22 110.395 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.7 m -119.63 120.59 37.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.07 0.462 . . . . 1.94 111.296 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.54 -36.26 33.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 5.07 111.092 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 63.13 119.37 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.769 0.668 . . . . 2.78 111.561 -176.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.88 53.7 2.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.717 0.77 . . . . 6.17 109.973 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.68 -39.88 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.05 -0.977 . . . . 3.3 111.025 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' HA ' ' OD1' ' A' ' 67' ' ' ASP . 27.1 mt-30 -58.86 126.22 26.77 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.654 -0.273 . . . . 4.2 110.321 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -165.27 -39.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.193 0.442 . . . . 7.06 112.193 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -147.77 124.64 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.705 -0.398 . . . . 6.82 110.866 -171.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 73.22 -42.12 0.52 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.709 0.804 . . . . 3.2 111.753 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' HA ' ' A' ' 63' ' ' GLN . 3.7 p30 -63.9 -24.09 67.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.179 -0.464 . . . . 5.67 111.06 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.7 mt -82.64 -9.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.137 0.494 . . . . 3.35 110.29 -176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.47 -44.31 89.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 3.56 109.903 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -104.95 18.51 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.119 -0.491 . . . . 2.26 111.045 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -98.79 105.63 17.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.782 -0.451 . . . . 3.22 109.782 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 O-C-N 123.69 0.619 . . . . 4.3 110.963 -177.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.091 0.472 . . . . 7.31 110.657 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.89 161.34 40.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 5.19 110.403 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.53 18.4 18.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.29 -0.413 . . . . 5.72 111.096 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t -48.02 -52.07 21.43 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.431 -0.581 . . . . 2.88 109.431 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.87 130.03 55.42 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.627 -1.249 . . . . 1.46 107.627 165.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 46.7 m -101.58 136.95 40.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.398 0.618 . . . . 1.49 109.862 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.521 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 17.9 pttp -59.37 -36.33 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.615 -1.175 . . . . 1.14 113.036 -170.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.17 -43.58 86.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.811 0.338 . . . . 2.11 110.724 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.18 -50.9 69.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.239 0.542 . . . . 1.68 110.394 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.406 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.6 mm -65.57 -45.45 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.84 . . . . 0.96 110.779 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.28 71.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.669 0.271 . . . . 0.24 111.432 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 0.33 110.464 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.865 -0.607 . . . . 1.56 109.697 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.455 HG12 HG12 ' A' ' 12' ' ' ILE . 74.4 mt -62.01 -54.84 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.145 -0.934 . . . . 0.24 112.17 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.8 -35.31 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.568 -0.453 . . . . 0.18 110.935 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -59.19 -37.41 77.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.167 0.508 . . . . 0.57 110.228 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.537 ' OH ' ' HA ' ' A' ' 5' ' ' LYS . 83.0 t80 -63.23 -51.85 64.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.643 -0.708 . . . . 1.39 110.705 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.635 -0.257 . . . . 1.04 110.801 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -61.17 -35.1 76.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 0.9 110.19 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' B' ' 22' ' ' LYS . 46.5 m -74.41 -40.9 61.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.679 -0.691 . . . . 0.84 110.896 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.422 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.6 mm -63.12 -43.93 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 0.28 111.155 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -74.37 -31.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.608 -0.269 . . . . 0.34 110.81 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.42 -50.53 73.37 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.317 0.579 . . . . 2.49 110.605 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 18' ' ' SER . 46.4 mttm -86.83 -3.02 59.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.497 -0.774 . . . . 1.41 110.831 -174.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 52.72 45.19 29.17 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.686 -1.143 . . . . 1.79 112.247 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.14 9.35 15.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 1.84 110.615 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -135.39 151.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.612 -0.722 . . . . 0.36 109.155 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.23 140.54 32.42 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.375 0.422 . . . . 1.47 110.143 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.31 -26.81 68.94 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 1.87 112.13 -170.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -46.88 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.567 -0.531 . . . . 1.84 109.567 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.93 -34.67 87.8 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.324 -0.853 . . . . 0.3 111.932 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.26 83.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.717 0.294 . . . . 0.24 110.963 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.76 -37.41 84.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.087 0.47 . . . . 1.47 110.438 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.48 -33.29 75.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 0.92 110.184 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.93 -34.77 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.21 110.518 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.18 -51.5 69.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.21 110.788 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.18 -28.66 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 0.26 110.797 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.91 -49.85 73.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 0.18 110.319 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -58.96 -37.73 77.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.21 111.588 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -41.9 99.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.698 0.285 . . . . 1.68 111.02 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.74 -34.73 78.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 0.27 110.528 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.0 mt -68.89 -47.23 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.16 110.64 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 12.3 p -65.65 -36.95 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 1.13 111.126 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -62.45 -37.39 85.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 2.23 110.795 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -51.36 55.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.25 112.13 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 84.6 m-85 -95.01 -6.88 41.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.112 0.412 . . . . 1.15 112.112 -174.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 47.62 32.79 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.43 113.102 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 14.7 p90 -135.07 165.47 25.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.771 0.32 . . . . 1.27 110.538 -178.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -98.2 149.4 22.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.947 -0.57 . . . . 1.92 110.061 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.78 42.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 2.57 110.453 -173.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.96 -7.49 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.194 0.521 . . . . 2.24 110.824 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.35 1.38 57.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 0.48 110.632 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.78 -36.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.483 -0.781 . . . . 0.41 112.729 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -61.95 -46.45 89.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 1.25 110.832 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.58 -39.91 86.26 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.59 112.789 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -75.13 -54.77 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.57 111.065 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.93 -42.46 94.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.536 . . . . 0.65 111.784 -176.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.94 -15.03 33.72 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.011 -0.614 . . . . 0.91 113.811 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -83.88 -20.64 32.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.169 0.509 . . . . 2.21 110.436 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 12.8 m -119.09 120.37 36.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 1.94 111.296 -173.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.33 -36.49 34.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 5.06 111.136 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 63.7 119.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.208 0.528 . . . . 2.78 111.505 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.55 53.57 1.88 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.7 0.762 . . . . 6.16 110.101 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.72 -39.81 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.041 -0.981 . . . . 3.3 110.913 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.412 ' HA ' ' OD1' ' B' ' 67' ' ' ASP . 27.1 mt-30 -58.94 126.08 26.24 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.739 -0.231 . . . . 4.2 110.446 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -165.26 -39.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.307 0.484 . . . . 7.07 112.307 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -147.76 124.26 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.704 -0.398 . . . . 6.83 110.893 -171.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 73.42 -41.85 0.51 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.73 0.812 . . . . 3.2 111.711 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' B' ' 63' ' ' GLN . 3.7 p30 -64.19 -23.93 67.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.112 -0.494 . . . . 5.67 110.958 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 35.9 mt -82.48 -10.23 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.094 0.473 . . . . 3.35 110.35 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.41 -43.84 88.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 3.55 110.02 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -105.1 18.47 22.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.461 . . . . 2.27 111.029 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -98.96 105.1 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.893 -0.41 . . . . 3.23 109.893 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 O-C-N 123.73 0.644 . . . . 4.3 110.641 -177.36 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.692 0.282 . . . . 7.31 110.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 31.0 m -106.62 158.36 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 5.19 111.014 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -179.33 79.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.915 -0.772 . . . . 5.73 108.915 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -66.14 149.98 49.46 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.634 -0.712 . . . . 2.89 110.843 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.77 -175.86 0.44 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.049 -0.723 . . . . 1.46 109.049 170.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.429 ' HB2' ' HG3' ' A' ' 7' ' ' GLU . 36.2 m -101.63 136.01 42.18 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.822 -0.549 . . . . 1.49 109.547 -175.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 19.2 pttm -70.08 -19.58 63.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.825 -0.625 . . . . 1.14 110.917 -176.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.97 -41.01 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.98 -0.554 . . . . 2.11 110.499 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.637 ' OE2' ' HA ' ' A' ' 58' ' ' SER . 39.8 mt-10 -61.15 -46.46 90.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.191 0.519 . . . . 1.68 110.242 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.552 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 44.9 mt -70.12 -46.57 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 0.96 110.726 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.99 65.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.616 0.246 . . . . 0.25 111.343 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.94 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.33 110.504 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.1 -40.8 86.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 1.56 110.6 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 8' ' ' ILE . 77.3 mt -60.55 -57.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 0.25 111.881 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.62 -35.88 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.896 -0.321 . . . . 0.18 110.803 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -58.82 -42.19 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.57 110.591 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.554 ' CZ ' HD12 ' B' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.21 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 1.4 111.043 -176.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.1 -38.75 92.41 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.88 -0.328 . . . . 1.05 110.422 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -62.59 -35.66 80.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 0.9 110.042 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -72.91 -43.65 62.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.84 110.479 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 15' ' ' TYR . 36.9 mm -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.28 111.41 -179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.42 -33.78 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.019 -0.272 . . . . 0.34 111.0 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.37 -48.37 81.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.921 0.391 . . . . 2.49 110.653 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -80.76 -4.0 52.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.023 -0.535 . . . . 1.42 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt 55.67 41.92 29.96 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.066 -0.97 . . . . 1.79 111.782 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.89 5.9 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.945 0.403 . . . . 1.83 111.1 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' CE1' ' B' ' 44' ' ' PHE . 15.8 tt -130.59 146.68 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.481 -0.563 . . . . 0.36 109.481 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -57.79 151.57 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.231 -0.44 . . . . 1.45 111.308 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -50.21 -48.16 54.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.227 0.454 . . . . 1.87 112.227 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.17 -41.98 80.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.287 0.565 . . . . 1.85 110.8 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . . . -68.28 -41.25 86.47 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.31 112.066 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -48.87 76.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.672 0.249 . . . . 0.24 111.672 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.27 -39.72 87.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 1.46 110.669 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -65.34 -30.38 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 0.92 110.556 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.93 -33.41 57.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.305 . . . . 0.21 110.757 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -63.3 -48.36 78.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.21 110.795 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 m -68.09 -29.85 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 0.25 110.397 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.296 -0.411 . . . . 0.18 110.477 176.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.2 mtm -56.74 -38.1 71.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 0.21 111.407 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.85 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 1.68 110.763 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.6 m -64.68 -36.38 84.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.26 111.311 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 36' ' ' ALA . 87.8 mt -66.09 -49.43 76.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.487 . . . . 0.16 110.4 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.463 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 14.9 m -64.12 -39.4 93.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 1.13 110.775 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.84 -27.56 67.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 2.23 111.08 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -51.4 24.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.545 -0.298 . . . . 0.25 111.354 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' B' ' 25' ' ' ILE . 74.6 m-85 -93.48 -6.21 47.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 1.15 111.9 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.06 54.3 28.46 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.43 112.973 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 17.1 p90 -136.81 166.79 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.856 0.328 . . . . 1.27 110.528 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -96.96 147.36 24.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 1.92 109.879 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -81.08 -18.3 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.138 0.494 . . . . 2.57 110.057 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -84.96 -4.17 59.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 2.23 110.411 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.89 1.26 56.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.837 -0.62 . . . . 0.48 110.839 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.662 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 m -55.28 -39.4 51.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-N 116.083 -0.508 . . . . 0.41 111.83 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 p -57.06 -56.93 15.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.777 0.322 . . . . 1.24 110.967 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.18 -38.55 56.64 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.745 -0.662 . . . . 0.59 113.375 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -45.74 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.843 0.322 . . . . 0.57 111.091 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 23.8 mt -61.4 -41.44 97.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.249 -0.432 . . . . 0.65 111.322 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.45 -13.68 60.98 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.456 -0.878 . . . . 0.91 112.322 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -99.6 -7.81 25.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.967 0.413 . . . . 2.22 110.517 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.637 ' HA ' ' OE2' ' A' ' 7' ' ' GLU . 94.9 p -69.14 140.41 54.72 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.19 0.519 . . . . 1.94 111.626 -173.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -91.14 0.93 57.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.704 -0.68 . . . . 5.07 110.975 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -64.88 136.23 56.63 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.997 -0.547 . . . . 2.78 110.713 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -101.11 144.12 30.4 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.573 -0.739 . . . . 6.17 110.602 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.49 13.84 49.75 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.717 -0.754 . . . . 3.3 111.319 -174.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -72.22 -166.33 0.24 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.783 -0.208 . . . . 4.2 111.184 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.7 m80 66.81 132.08 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.856 -0.611 . . . . 7.06 109.81 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.522 ' H ' HD23 ' A' ' 65' ' ' LEU . 2.5 pt? -60.29 121.3 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.281 0.563 . . . . 6.82 111.742 -172.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -170.22 -75.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.102 -0.954 . . . . 3.2 109.554 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.68 -34.15 30.85 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.527 -0.916 . . . . 5.67 108.527 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 16.5 pt -119.74 109.12 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.415 -1.266 . . . . 3.35 109.608 172.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 pp -81.8 -2.49 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.692 0.282 . . . . 3.56 111.347 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.34 3.65 5.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.124 0.488 . . . . 2.26 111.828 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -68.38 -24.81 64.82 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.164 -0.335 . . . . 3.22 110.18 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.454 -0.794 . . . . 4.3 111.413 178.639 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.795 0.331 . . . . 7.31 110.543 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 30.7 m -106.25 158.67 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.807 0.337 . . . . 5.19 110.81 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -179.71 80.21 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.661 -0.866 . . . . 5.72 108.661 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -66.24 149.88 49.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.639 -0.71 . . . . 2.88 110.81 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.64 -175.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.502 -0.772 . . . . 1.46 109.077 170.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' B' ' 7' ' ' GLU . 34.1 m -101.66 135.96 42.31 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.851 -0.53 . . . . 1.49 109.595 -175.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' B' ' 5' ' ' LYS . 19.2 pttm -70.0 -19.56 63.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.798 -0.637 . . . . 1.14 110.936 -176.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.09 -40.93 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.972 -0.558 . . . . 2.11 110.495 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.639 ' OE2' ' HA ' ' B' ' 58' ' ' SER . 39.5 mt-10 -61.16 -46.53 90.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.066 -0.515 . . . . 1.68 110.258 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.554 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 45.2 mt -70.12 -46.5 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.528 -0.76 . . . . 0.96 110.78 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.57 -39.84 65.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.601 0.238 . . . . 0.24 111.338 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.82 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.33 110.545 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.11 -40.7 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.002 0.43 . . . . 1.56 110.672 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 8' ' ' ILE . 77.3 mt -60.75 -57.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.534 -0.757 . . . . 0.24 111.758 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.38 -36.1 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.943 -0.303 . . . . 0.18 110.808 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -58.92 -41.96 88.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.57 110.694 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.552 ' CZ ' HD12 ' A' ' 8' ' ' ILE . 37.5 t80 -65.9 -48.3 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 1.39 110.956 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.15 -38.6 91.81 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.899 -0.32 . . . . 1.04 110.441 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -62.83 -35.27 79.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 0.9 110.118 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -73.17 -43.66 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.84 110.443 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.424 HG12 ' O ' ' B' ' 15' ' ' TYR . 37.0 mm -61.02 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.28 111.324 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -72.28 -33.91 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 121.029 -0.269 . . . . 0.34 110.997 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.37 -48.42 81.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.098 0.475 . . . . 2.49 110.672 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -80.77 -3.95 52.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.979 -0.555 . . . . 1.41 111.04 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt 55.65 41.73 30.2 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 114.984 -1.007 . . . . 1.79 111.789 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.79 5.86 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 1.84 111.002 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.463 HD12 ' CE1' ' A' ' 44' ' ' PHE . 15.9 tt -130.54 146.87 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.525 -0.546 . . . . 0.36 109.525 177.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -57.81 151.61 17.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.283 -0.417 . . . . 1.47 111.381 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.1 -48.03 53.51 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.267 0.469 . . . . 1.87 112.267 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.41 -42.35 82.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.092 0.473 . . . . 1.84 110.683 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.79 -41.53 88.51 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.566 -0.743 . . . . 0.3 112.058 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.28 -48.97 75.56 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 111.63 0.233 . . . . 0.24 111.63 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.23 -39.6 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.443 . . . . 1.47 110.707 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -65.45 -30.54 71.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 0.92 110.581 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 29' ' ' GLY . 90.7 mt -76.85 -33.26 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.21 110.724 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.4 -48.39 78.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.248 -0.433 . . . . 0.21 110.772 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.21 -29.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.946 -0.301 . . . . 0.26 110.467 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.97 -50.3 69.11 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.475 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.1 mtm -56.54 -38.51 71.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.328 -0.396 . . . . 0.21 111.327 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.85 -48.3 82.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.511 . . . . 1.68 110.665 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 86.3 m -64.94 -36.38 84.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.27 111.28 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 36' ' ' ALA . 88.1 mt -66.05 -49.22 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.219 0.533 . . . . 0.16 110.474 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.466 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.1 m -64.64 -39.28 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.622 -0.717 . . . . 1.13 110.717 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.85 -26.8 67.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.03 -0.532 . . . . 2.23 111.229 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.07 -51.17 22.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.707 0.289 . . . . 0.25 111.412 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CE1' HD12 ' A' ' 25' ' ' ILE . 74.9 m-85 -93.35 -7.16 45.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 1.15 111.889 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.8 54.11 27.14 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.43 113.053 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 17.1 p90 -136.8 166.3 23.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.888 0.344 . . . . 1.27 110.45 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -96.61 147.32 24.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 1.92 109.758 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -80.9 -18.54 46.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.988 0.423 . . . . 2.57 110.115 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.56 -4.85 59.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 2.24 110.418 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.2 0.96 57.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 0.48 110.739 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.671 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 17.3 m -54.95 -39.45 49.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.41 111.857 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.8 p -57.15 -56.98 14.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.857 0.36 . . . . 1.25 110.897 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.42 -38.12 57.0 Favored Glycine 0 CA--C 1.52 0.382 0 CA-C-N 115.684 -0.689 . . . . 0.59 113.305 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.5 mt -74.49 -45.83 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.025 0.413 . . . . 0.57 111.081 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 23.9 mt -61.58 -41.21 97.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.324 -0.398 . . . . 0.65 111.279 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.65 -13.17 60.61 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.522 -0.847 . . . . 0.91 112.556 174.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -99.8 -8.32 24.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.091 0.472 . . . . 2.21 110.547 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.639 ' HA ' ' OE2' ' B' ' 7' ' ' GLU . 91.9 p -68.56 140.68 55.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 1.94 111.505 -173.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -91.54 0.91 57.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.696 -0.684 . . . . 5.06 110.977 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -64.86 136.69 57.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 2.78 110.75 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -101.27 144.09 30.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.654 -0.703 . . . . 6.16 110.463 -175.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.46 14.1 48.87 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.647 -0.787 . . . . 3.3 111.286 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -72.43 -166.58 0.27 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.708 -0.246 . . . . 4.2 111.095 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 53.0 m80 67.1 132.04 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.821 -0.627 . . . . 7.07 109.676 -169.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.522 ' H ' HD23 ' B' ' 65' ' ' LEU . 2.5 pt? -60.14 121.35 11.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.345 0.593 . . . . 6.83 111.735 -172.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -170.18 -76.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.081 -0.963 . . . . 3.2 109.377 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -81.76 -33.97 30.67 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.46 -0.941 . . . . 5.67 108.46 172.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' B' ' 65' ' ' LEU . 16.6 pt -119.81 109.21 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.505 -1.225 . . . . 3.35 109.559 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.94 -2.44 51.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.841 0.353 . . . . 3.55 111.449 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -73.33 3.69 5.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.134 0.492 . . . . 2.27 111.778 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -68.47 -24.85 64.74 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.175 -0.328 . . . . 3.23 110.228 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.576 -0.738 . . . . 4.3 111.467 178.536 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.162 0.505 . . . . 7.31 111.211 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 13.5 m -105.1 -178.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 5.19 110.126 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 55.62 24.55 7.15 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.685 0.755 . . . . 5.73 111.293 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -110.35 179.78 3.99 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.697 -0.683 . . . . 2.89 109.904 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.85 161.56 0.25 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.001 0.813 . . . . 1.46 111.11 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.7 t -107.73 147.02 31.33 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.462 0.649 . . . . 1.49 109.965 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -73.57 -18.46 61.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.069 -0.969 . . . . 1.14 109.957 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.18 -42.54 93.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.496 -0.774 . . . . 2.11 110.121 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' OE1' ' HA ' ' A' ' 58' ' ' SER . 41.0 mt-10 -58.16 -51.19 70.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.408 0.623 . . . . 1.68 110.564 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' B' ' 15' ' ' TYR . 49.1 mt -66.9 -43.1 89.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.206 -0.907 . . . . 0.96 110.943 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.63 72.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.508 0.195 . . . . 0.25 111.217 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -46.54 90.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.33 110.74 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.22 -43.45 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.484 . . . . 1.56 110.328 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 8' ' ' ILE . 85.5 mt -59.29 -54.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.152 -0.931 . . . . 0.25 112.067 -176.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.61 -39.78 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.696 -0.402 . . . . 0.18 111.001 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.76 -33.93 73.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.44 . . . . 0.57 110.517 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.49 ' O ' HG12 ' A' ' 19' ' ' ILE . 55.1 t80 -65.88 -50.43 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 1.4 110.803 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.25 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.986 -0.286 . . . . 1.05 110.497 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 49.0 m -61.05 -43.87 98.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.248 -0.433 . . . . 0.9 109.848 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -65.06 -38.15 89.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.316 -0.402 . . . . 0.84 110.473 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 15' ' ' TYR . 45.7 mm -61.85 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.491 -0.322 . . . . 0.28 111.223 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 m -75.71 -28.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.063 -0.255 . . . . 0.34 111.092 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 17' ' ' SER . 29.0 mm-40 -64.84 -47.8 76.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.956 0.408 . . . . 2.49 110.602 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.81 -11.26 59.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.42 111.022 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.31 40.99 32.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.938 -1.028 . . . . 1.79 111.647 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.1 8.23 6.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.964 -0.562 . . . . 1.83 111.143 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.49 149.42 24.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.586 -0.524 . . . . 0.36 109.586 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -58.28 148.16 28.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.11 0.481 . . . . 1.45 110.06 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.42 -28.38 69.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.337 -0.847 . . . . 1.87 112.324 -170.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 1.85 109.732 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -39.02 90.12 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.31 111.453 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.42 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.24 111.132 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.24 -39.68 91.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 1.46 110.472 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -63.8 -34.48 78.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.984 -0.553 . . . . 0.92 110.265 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.32 -37.01 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.826 0.346 . . . . 0.21 110.522 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -59.81 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.21 110.826 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.5 m -71.8 -31.75 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.846 -0.342 . . . . 0.25 110.667 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -59.4 -52.98 63.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.74 0.305 . . . . 0.18 110.404 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mtm -57.02 -38.81 73.67 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.114 -0.494 . . . . 0.21 111.375 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -45.96 90.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 1.68 110.606 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.88 -40.48 95.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.26 110.764 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 36' ' ' ALA . 83.2 mt -64.16 -47.69 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.16 110.349 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.579 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 22.3 m -62.15 -41.38 98.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.681 . . . . 1.13 110.825 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.3 -41.35 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 2.23 110.834 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.96 94.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.25 112.146 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -104.6 -3.49 23.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.886 0.374 . . . . 1.15 111.801 -176.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.8 46.14 54.73 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.896 -0.593 . . . . 0.43 113.386 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 16.8 p90 -133.75 165.1 25.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.752 0.276 . . . . 1.27 110.394 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.49 154.25 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.133 -0.485 . . . . 1.92 109.811 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -81.01 -22.4 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.232 -0.655 . . . . 2.57 109.232 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.9 -12.03 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.376 -0.829 . . . . 2.23 110.751 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.78 3.81 53.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.48 110.926 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.643 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 8.0 m -49.42 -45.21 18.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 115.824 -0.625 . . . . 0.41 112.068 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -56.28 -48.89 75.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 1.24 111.305 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.22 -45.31 52.21 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.646 -0.706 . . . . 0.59 112.953 175.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.9 mt -76.65 -40.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.536 . . . . 0.57 110.772 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 63.9 mt -68.48 -17.65 64.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.866 -0.606 . . . . 0.65 111.907 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.43 -18.52 58.65 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.102 -1.047 . . . . 0.91 111.078 -174.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -107.32 5.81 27.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.034 0.445 . . . . 2.22 110.136 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.43 ' HA ' ' OE1' ' A' ' 7' ' ' GLU . 23.1 t -85.39 148.33 26.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.933 -0.576 . . . . 1.94 110.325 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -82.0 -11.19 58.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.531 . . . . 5.07 110.248 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.445 ' CE1' HD12 ' B' ' 65' ' ' LEU . 91.1 m-85 -75.98 92.71 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 2.78 110.243 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -83.06 54.82 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.637 -0.71 . . . . 6.17 110.796 -175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.22 11.33 83.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.933 -0.651 . . . . 3.3 112.519 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 63.41 -170.42 0.18 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.671 0.388 . . . . 4.2 111.268 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -75.77 -38.95 57.86 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.697 -0.401 . . . . 7.06 110.827 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.458 HD12 ' CE1' ' B' ' 60' ' ' PHE . 86.4 mt -92.39 135.75 33.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.404 -0.362 . . . . 6.82 110.716 -176.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.62 4.28 22.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 3.2 111.669 -175.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.43 -19.57 52.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.466 -0.334 . . . . 5.67 110.609 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.47 84.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.406 0.622 . . . . 3.35 110.237 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -86.44 -6.67 58.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.766 -0.652 . . . . 3.56 110.822 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -85.89 18.93 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 2.26 110.762 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 p -97.71 179.01 4.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.945 -0.57 . . . . 3.22 110.163 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.61 -0.71 . . . . 4.3 110.157 177.009 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 121.242 0.544 . . . . 7.31 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 13.3 m -105.04 -178.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 5.19 110.105 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.0 t70 55.5 24.89 7.24 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.672 0.748 . . . . 5.72 111.214 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -110.61 179.77 3.98 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.713 -0.676 . . . . 2.88 109.985 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 74.17 161.84 0.25 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.962 0.789 . . . . 1.46 111.127 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 32.3 t -108.22 146.98 32.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.482 0.658 . . . . 1.49 109.864 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -73.63 -18.4 61.05 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.046 -0.979 . . . . 1.14 109.906 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.26 -42.5 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.795 . . . . 2.11 110.096 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.45 ' OE1' ' HA ' ' B' ' 58' ' ' SER . 40.8 mt-10 -58.17 -51.16 70.88 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.461 0.648 . . . . 1.68 110.621 177.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.477 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 49.1 mt -66.88 -43.12 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.216 -0.902 . . . . 0.96 110.989 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.71 71.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.669 0.271 . . . . 0.24 111.33 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.39 90.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 0.33 110.697 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.37 -43.42 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 1.56 110.311 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.443 HG13 ' O ' ' B' ' 8' ' ' ILE . 85.1 mt -59.33 -54.69 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.165 -0.925 . . . . 0.24 112.072 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.76 -39.64 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.66 -0.416 . . . . 0.18 111.047 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -60.75 -33.93 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.982 0.42 . . . . 0.57 110.555 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.493 ' O ' HG12 ' B' ' 19' ' ' ILE . 55.1 t80 -66.04 -50.26 64.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 1.39 110.77 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.32 -32.88 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.665 0.269 . . . . 1.04 110.479 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' B' ' 21' ' ' GLU . 49.6 m -61.03 -43.94 98.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.9 109.925 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -65.02 -38.24 90.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.84 110.532 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 15' ' ' TYR . 45.6 mm -61.58 -43.33 96.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.467 -0.333 . . . . 0.28 111.233 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.82 -27.9 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.931 -0.308 . . . . 0.34 111.052 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' B' ' 17' ' ' SER . 27.6 mm-40 -65.04 -47.67 76.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.39 . . . . 2.49 110.469 173.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -75.8 -11.2 59.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.21 0.529 . . . . 1.41 111.036 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.57 40.41 31.83 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 114.879 -1.055 . . . . 1.79 111.648 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -78.9 8.75 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 1.84 111.14 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -138.95 149.13 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.654 -0.499 . . . . 0.36 109.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -57.87 147.87 27.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.16 0.505 . . . . 1.47 109.983 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.55 -28.24 69.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.832 . . . . 1.87 112.335 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -71.16 -40.3 71.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 1.84 109.699 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.81 -39.04 89.96 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.407 -0.677 . . . . 0.3 111.407 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.37 81.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.763 0.316 . . . . 0.24 111.15 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.43 -39.2 89.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.951 0.405 . . . . 1.47 110.568 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.4 t -63.96 -34.83 78.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.92 110.199 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.99 -37.01 75.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.411 -0.359 . . . . 0.21 110.584 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -59.86 -48.59 81.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.21 110.879 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.7 -31.7 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.791 -0.364 . . . . 0.26 110.678 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.458 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -59.44 -52.99 63.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 120.655 0.264 . . . . 0.18 110.404 175.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.6 mtm -56.98 -38.91 73.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.21 111.388 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.37 -46.09 90.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.68 110.577 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.94 -40.48 95.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 0.27 110.606 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 36' ' ' ALA . 83.8 mt -64.3 -47.5 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.16 110.33 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.585 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 22.2 m -62.24 -41.24 98.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.772 -0.649 . . . . 1.13 110.779 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.64 -40.72 97.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 2.23 110.92 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.78 95.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.965 -0.562 . . . . 0.25 112.053 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -104.56 -3.6 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.644 -0.422 . . . . 1.15 111.801 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.91 46.31 53.1 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.43 113.332 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.585 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 16.8 p90 -133.79 165.22 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.896 0.348 . . . . 1.27 110.367 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.26 154.24 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.188 -0.46 . . . . 1.92 109.937 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 2.57 109.201 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -85.6 -11.85 52.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 2.24 110.699 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.85 3.87 53.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 0.48 110.958 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.643 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 8.2 m -49.57 -45.37 19.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.784 -0.644 . . . . 0.41 112.07 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 1.25 111.133 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.23 -45.02 52.46 Favored Glycine 0 CA--C 1.52 0.373 0 CA-C-N 115.647 -0.706 . . . . 0.59 113.052 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 56.6 mt -76.89 -40.61 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.172 0.51 . . . . 0.57 110.801 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 63.2 mt -68.49 -17.6 64.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.828 -0.624 . . . . 0.65 112.011 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.11 -19.22 57.86 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.226 -0.987 . . . . 0.91 111.065 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -106.87 5.63 28.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.05 0.452 . . . . 2.21 110.059 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.45 ' HA ' ' OE1' ' B' ' 7' ' ' GLU . 23.0 t -85.3 148.09 26.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 1.94 110.422 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.75 -11.04 59.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.09 -0.504 . . . . 5.06 110.401 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.458 ' CE1' HD12 ' A' ' 65' ' ' LEU . 91.6 m-85 -76.07 92.93 3.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 2.78 110.171 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -83.03 54.45 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.651 -0.704 . . . . 6.16 110.748 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.14 83.48 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.868 -0.682 . . . . 3.3 112.581 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 63.39 -171.08 0.18 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 122.815 0.446 . . . . 4.2 111.262 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -74.98 -39.13 61.43 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.741 -0.384 . . . . 7.07 110.749 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.445 HD12 ' CE1' ' A' ' 60' ' ' PHE . 85.9 mt -92.11 136.2 33.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.895 0.379 . . . . 6.83 110.655 -176.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.04 4.07 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 3.2 111.671 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -19.47 53.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.441 -0.345 . . . . 5.67 110.654 177.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.56 83.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.487 0.661 . . . . 3.35 110.407 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.12 -6.62 58.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.673 -0.694 . . . . 3.55 110.769 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -85.9 18.86 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 2.27 110.797 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 12.5 p -97.68 179.1 4.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.806 -0.634 . . . . 3.23 110.268 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.549 -0.738 . . . . 4.3 110.017 177.026 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.271 0.558 . . . . 7.31 110.631 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 22.3 m -131.82 178.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.768 -0.651 . . . . 5.19 109.806 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.62 36.28 1.64 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.132 -1.062 . . . . 5.73 108.132 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -78.29 -171.78 2.55 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.114 -1.403 . . . . 2.89 111.431 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.74 174.59 10.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.548 -0.538 . . . . 1.46 109.548 176.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.5 m -99.29 136.77 38.75 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.668 -0.493 . . . . 1.49 109.668 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -65.4 -29.2 69.88 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.844 -0.616 . . . . 1.14 112.076 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.58 -44.13 83.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 2.11 110.282 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -62.65 -41.99 99.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 1.68 110.65 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.86 -40.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.885 -0.598 . . . . 0.96 110.417 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.81 77.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.525 -0.307 . . . . 0.25 111.091 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.21 94.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.33 110.528 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.91 -45.34 94.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.822 -0.626 . . . . 1.56 109.456 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.35 -46.96 95.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.474 -0.784 . . . . 0.25 112.149 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.41 -36.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.501 -0.48 . . . . 0.18 110.981 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.39 -37.04 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.307 0.575 . . . . 0.57 109.779 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.559 ' O ' HG12 ' A' ' 19' ' ' ILE . 66.3 t80 -59.94 -53.05 62.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.351 -0.841 . . . . 1.4 110.543 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -64.8 -32.34 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.547 -0.297 . . . . 1.05 110.982 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.4 m -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.714 -0.476 . . . . 0.9 109.714 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.2 t -56.29 -33.51 65.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.259 0.552 . . . . 0.84 110.86 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 15' ' ' TYR . 48.7 mm -71.92 -52.02 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.137 -0.483 . . . . 0.28 111.128 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.87 -42.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.27 0.47 . . . . 0.34 112.27 -174.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 2.49 111.393 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.34 57.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 1.42 111.194 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.54 49.59 16.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.117 -0.947 . . . . 1.79 111.515 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 19' ' ' ILE . 5.7 mm-40 -80.07 -7.53 58.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.659 -0.701 . . . . 1.83 109.88 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -130.55 154.18 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.578 -0.737 . . . . 0.36 109.758 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -60.24 159.03 10.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.296 0.373 . . . . 1.45 111.57 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.58 -54.81 23.63 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.085 0.772 . . . . 1.87 113.085 -171.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.66 -37.67 88.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.162 0.506 . . . . 1.85 110.441 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.92 -44.6 97.18 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.786 -0.721 . . . . 0.31 111.525 176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.53 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.547 0.213 . . . . 0.24 111.204 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.67 -41.08 97.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 1.46 110.354 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 m -64.18 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.809 -0.632 . . . . 0.92 110.97 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -76.65 -35.22 58.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.687 0.28 . . . . 0.21 110.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -60.21 -46.31 90.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.21 110.857 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 m -73.69 -27.53 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.25 110.578 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.41 -49.56 73.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.352 -0.385 . . . . 0.18 110.232 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.4 mtm -59.21 -34.78 72.58 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.118 -0.492 . . . . 0.21 110.921 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.03 -43.9 94.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.68 110.441 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.51 -38.56 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 0.26 110.872 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 36' ' ' ALA . 77.6 mt -66.05 -40.87 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.456 0.646 . . . . 0.16 109.743 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.34 -45.82 92.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.961 -1.018 . . . . 1.13 110.182 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.77 -34.07 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 2.23 111.314 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.41 71.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.258 -0.428 . . . . 0.25 111.877 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 99.1 m-85 -99.35 -4.67 31.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.055 0.455 . . . . 1.15 112.122 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.15 52.07 44.46 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.768 -0.651 . . . . 0.43 113.26 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 13.8 p90 -136.4 172.91 12.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.857 0.328 . . . . 1.27 110.323 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 28.4 mm-40 -107.13 150.45 26.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.02 -0.363 . . . . 1.92 110.02 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.533 ' NH1' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -80.22 -14.25 58.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 2.57 110.175 -173.144 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -80.22 -22.12 42.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 2.23 110.887 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -85.21 2.41 43.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 0.48 111.782 -177.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.6 m -53.73 -46.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.403 0.52 . . . . 0.41 112.403 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.74 -49.16 78.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 1.24 111.022 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.43 -38.15 78.21 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.634 -0.712 . . . . 0.59 113.24 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 50' ' ' ALA . 63.1 mt -76.57 -43.31 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 0.57 110.769 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 59.2 mt -60.56 -37.55 81.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.17 -0.468 . . . . 0.65 111.076 178.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.51 -13.32 58.35 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.896 -0.668 . . . . 0.91 112.872 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' ILE . 6.0 tppp? -90.33 -29.9 17.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.763 0.316 . . . . 2.22 110.564 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 t -123.23 112.14 17.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.829 0.347 . . . . 1.94 111.391 -173.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -80.87 -11.23 59.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 5.07 110.313 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 67.84 -73.16 0.09 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.752 0.821 . . . . 2.78 110.954 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -163.81 34.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.584 0.707 . . . . 6.17 109.677 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.41 54.8 0.77 Allowed Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.559 -0.746 . . . . 3.3 111.988 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -58.42 126.3 26.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.562 0.696 . . . . 4.2 111.226 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -132.32 115.62 15.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.543 -0.753 . . . . 7.06 109.325 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 71' ' ' SER . 4.7 mp -88.66 121.9 31.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.053 -0.521 . . . . 6.82 109.923 -176.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 178.2 -61.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.424 -0.807 . . . . 3.2 109.213 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.3 -26.36 38.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.418 -0.81 . . . . 5.67 109.847 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.513 HG22 ' H ' ' A' ' 70' ' ' ASN . 11.1 mt -83.32 130.75 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.571 -0.74 . . . . 3.35 109.492 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.4 mt -73.23 -1.61 18.45 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.084 0.469 . . . . 3.56 111.213 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.513 ' H ' HG22 ' A' ' 68' ' ' ILE . 10.4 t30 -71.74 0.42 8.92 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.919 -0.582 . . . . 2.26 110.652 176.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.569 ' HA ' HD23 ' A' ' 65' ' ' LEU . 2.9 p -56.24 -28.07 57.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 3.22 111.873 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.166 -0.921 . . . . 4.3 111.128 177.235 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 121.212 0.529 . . . . 7.31 110.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 21.5 m -131.6 178.46 5.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.859 -0.61 . . . . 5.19 109.834 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.96 36.4 1.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.381 1.086 . . . . 5.72 108.196 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p -77.87 -171.39 2.25 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 113.996 -1.457 . . . . 2.88 111.423 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.22 174.77 10.47 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.563 -0.532 . . . . 1.46 109.563 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 28.5 m -99.49 136.61 39.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.73 -0.47 . . . . 1.49 109.73 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -65.01 -29.4 70.32 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.775 -0.648 . . . . 1.14 112.128 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.71 -44.1 82.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.14 0.495 . . . . 2.11 110.27 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.563 -0.744 . . . . 1.68 110.701 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.98 -40.1 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 0.96 110.434 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.15 -40.96 78.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.586 -0.279 . . . . 0.24 111.014 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.174 -0.466 . . . . 0.33 110.542 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.78 -45.41 93.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.84 -0.618 . . . . 1.56 109.589 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.26 -47.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.391 -0.822 . . . . 0.24 112.132 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.39 -36.11 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.529 -0.468 . . . . 0.18 110.923 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -63.4 -36.94 85.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.344 0.593 . . . . 0.57 109.873 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.556 ' O ' HG12 ' B' ' 19' ' ' ILE . 67.0 t80 -59.91 -53.26 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.231 -0.895 . . . . 1.39 110.549 176.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -64.61 -32.47 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.57 -0.286 . . . . 1.04 110.96 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.9 m -60.22 -50.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.715 -0.476 . . . . 0.9 109.715 175.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.7 t -56.7 -33.39 66.41 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.169 0.509 . . . . 0.84 110.724 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.556 HG12 ' O ' ' B' ' 15' ' ' TYR . 48.8 mm -71.99 -51.77 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.151 -0.477 . . . . 0.28 111.153 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.27 -41.95 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.233 0.457 . . . . 0.34 112.233 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.23 -37.94 87.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 2.49 111.425 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -90.49 0.27 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.432 . . . . 1.41 111.21 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.5 50.17 15.18 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.123 -0.944 . . . . 1.79 111.533 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' B' ' 19' ' ' ILE . 5.7 mm-40 -80.44 -7.7 59.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.741 -0.663 . . . . 1.84 109.796 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -130.32 154.21 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.755 . . . . 0.36 109.724 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -60.47 159.11 10.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.452 -0.34 . . . . 1.47 111.709 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.24 -54.68 23.45 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.15 0.796 . . . . 1.87 113.15 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.04 -37.73 88.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.089 0.471 . . . . 1.84 110.472 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.42 97.46 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.775 -0.726 . . . . 0.3 111.582 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.83 -45.39 86.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.564 0.221 . . . . 0.24 111.283 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.71 -41.1 97.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 1.47 110.341 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 46.3 m -64.13 -31.49 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.69 -0.686 . . . . 0.92 110.86 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.58 -35.24 58.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.323 . . . . 0.21 110.681 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -60.33 -46.33 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.21 110.791 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 20.8 m -73.66 -27.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.26 110.563 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.417 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.64 -49.48 73.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.381 -0.372 . . . . 0.18 110.131 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.1 mtm -59.14 -34.98 72.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.156 -0.474 . . . . 0.21 110.926 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.98 -43.96 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 1.68 110.397 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 63.0 m -67.59 -38.37 83.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 0.27 111.004 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 36' ' ' ALA . 77.6 mt -66.1 -40.87 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.16 109.815 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -60.1 -46.07 90.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 1.13 110.151 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.67 -34.05 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 2.23 111.256 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.3 71.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.25 111.919 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.431 ' HB2' ' CD1' ' B' ' 46' ' ' PHE . 99.1 m-85 -99.56 -4.6 30.79 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.026 0.38 . . . . 1.15 112.026 -174.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.02 52.15 44.34 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.43 113.231 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' B' ' 44' ' ' PHE . 14.0 p90 -136.36 173.11 12.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.832 0.316 . . . . 1.27 110.274 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.53 ' HA ' ' NH1' ' B' ' 48' ' ' ARG . 28.3 mm-40 -107.22 150.45 26.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.031 -0.359 . . . . 1.92 110.031 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.53 ' NH1' ' HA ' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -80.2 -14.3 58.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 2.57 110.118 -173.088 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -80.2 -22.07 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.347 -0.388 . . . . 2.24 111.071 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -85.29 2.25 44.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 0.48 111.613 -176.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 15.6 m -53.67 -46.23 61.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 112.407 0.521 . . . . 0.41 112.407 -177.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -60.68 -49.45 77.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.847 0.356 . . . . 1.25 110.899 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -38.38 75.67 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.802 -0.636 . . . . 0.59 113.276 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 50' ' ' ALA . 63.2 mt -76.39 -43.17 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 0.57 110.817 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 60.2 mt -60.65 -37.6 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.171 -0.468 . . . . 0.65 111.117 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.67 -12.96 58.06 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.92 -0.657 . . . . 0.91 112.895 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' B' ' 54' ' ' ILE . 6.0 tppp? -90.86 -29.25 17.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.811 0.339 . . . . 2.21 110.664 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 10.3 t -123.64 112.3 17.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.987 0.422 . . . . 1.94 111.435 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -81.0 -11.32 59.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 5.06 110.254 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 67.87 -73.18 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.763 0.825 . . . . 2.78 110.937 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -163.75 34.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.48 0.657 . . . . 6.16 109.596 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.23 54.84 0.78 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.61 -0.723 . . . . 3.3 112.06 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -58.39 126.18 26.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.552 0.692 . . . . 4.2 111.193 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -132.0 115.68 16.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.448 -0.797 . . . . 7.07 109.319 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.57 HD23 ' HA ' ' B' ' 71' ' ' SER . 4.7 mp -88.79 121.88 31.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.206 -0.452 . . . . 6.83 109.924 -176.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 178.75 -62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.262 -0.881 . . . . 3.2 109.013 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.55 -26.35 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.387 -0.824 . . . . 5.67 109.849 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.519 HG22 ' H ' ' B' ' 70' ' ' ASN . 11.2 mt -83.14 131.01 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.701 -0.681 . . . . 3.35 109.395 176.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -73.42 -1.57 18.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.32 0.581 . . . . 3.55 111.249 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.519 ' H ' HG22 ' B' ' 68' ' ' ILE . 10.7 t30 -71.76 0.34 9.16 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.762 -0.654 . . . . 2.27 110.656 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.57 ' HA ' HD23 ' B' ' 65' ' ' LEU . 2.9 p -56.21 -28.4 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.05 -0.523 . . . . 3.23 111.679 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.188 -0.91 . . . . 4.3 111.291 177.372 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 110.397 -0.223 . . . . 7.31 110.397 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' VAL . . . . . . . . . . . . . 14.3 p -165.6 159.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.997 -0.371 . . . . 5.19 109.997 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -151.25 60.89 0.9 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.05 -1.093 . . . . 5.73 108.05 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -102.32 173.51 6.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.373 -0.831 . . . . 2.89 110.403 -173.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.3 157.14 34.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.952 -0.567 . . . . 1.46 109.879 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 p -110.83 157.35 19.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.517 -0.31 . . . . 1.49 110.7 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 15.0 pttm -50.69 -38.72 48.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.113 0.412 . . . . 1.14 112.113 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.53 -54.43 47.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.203 0.525 . . . . 2.11 110.96 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.4 -43.68 98.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 1.68 111.003 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.482 HG13 ' CZ ' ' B' ' 15' ' ' TYR . 47.9 mm -66.68 -49.59 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.846 -0.615 . . . . 0.96 110.674 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.38 69.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.602 -0.272 . . . . 0.25 111.305 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.14 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.33 110.862 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 1.56 109.7 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.458 HG23 HD13 ' B' ' 12' ' ' ILE . 66.3 mt -59.07 -57.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 0.25 112.003 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.12 -33.05 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 0.18 110.805 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.95 -42.42 98.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.57 110.399 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' B' ' 8' ' ' ILE . 47.5 t80 -66.89 -44.77 79.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.571 . . . . 1.4 111.052 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.68 -34.34 78.07 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.853 -0.339 . . . . 1.05 110.55 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.8 m -62.46 -33.9 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.9 110.355 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 m -71.99 -40.59 68.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.408 -0.36 . . . . 0.84 110.405 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.431 HG23 ' HB2' ' A' ' 24' ' ' GLU . 39.9 mm -60.24 -50.35 80.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.28 111.315 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.78 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.544 -0.298 . . . . 0.34 110.996 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.35 -42.76 98.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 2.49 111.297 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -86.07 -1.18 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 1.42 110.936 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.75 40.74 12.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.52 -0.764 . . . . 1.79 110.661 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 19.5 mm-40 -72.7 -14.37 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.158 -0.928 . . . . 1.83 111.192 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.4 tt -133.0 145.66 33.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.193 -0.458 . . . . 0.36 109.822 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 163.78 8.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 1.45 111.732 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -52.66 -48.57 66.37 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.475 0.546 . . . . 1.87 112.475 -171.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.25 -45.45 93.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.079 0.466 . . . . 1.85 110.148 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.03 97.76 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.31 111.961 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.537 0.208 . . . . 0.24 111.39 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.89 -38.14 87.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.391 . . . . 1.46 110.485 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.58 -36.56 84.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.901 -0.591 . . . . 0.92 110.276 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.95 -34.98 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 0.21 110.431 175.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.21 110.729 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 m -71.21 -30.42 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.495 -0.32 . . . . 0.25 110.547 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -62.77 -51.9 65.32 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.516 -0.311 . . . . 0.18 110.52 176.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.5 mtm -58.87 -36.12 74.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.427 -0.351 . . . . 0.21 111.051 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.03 -49.03 79.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 1.68 110.364 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.26 111.143 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 36' ' ' ALA . 84.6 mt -63.76 -47.59 90.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 0.16 110.306 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.509 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 15.8 m -63.72 -39.3 93.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.718 -0.674 . . . . 1.13 110.257 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.95 -49.18 78.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 2.23 110.825 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.01 59.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.538 -0.755 . . . . 0.25 112.233 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 5' ' ' LYS . 90.3 m-85 -89.79 -4.15 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.958 0.409 . . . . 1.15 111.583 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.61 48.95 53.59 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.817 -0.629 . . . . 0.43 113.484 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.2 p90 -135.03 171.49 14.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.972 0.415 . . . . 1.27 110.885 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -101.97 153.04 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 1.92 109.715 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -79.26 -16.09 56.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.198 0.523 . . . . 2.57 110.189 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.18 -15.04 48.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.677 -0.692 . . . . 2.23 110.327 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.99 -0.34 56.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.868 -0.605 . . . . 0.48 111.394 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 m -50.27 -42.12 20.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.41 112.137 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 p -61.22 -48.95 79.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.927 0.394 . . . . 1.24 110.875 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.66 -42.01 83.73 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.481 -0.782 . . . . 0.59 112.939 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.1 mt -74.1 -46.34 45.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.776 0.288 . . . . 0.57 110.81 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 75.3 mt -57.83 -42.23 83.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.21 -0.45 . . . . 0.65 111.362 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.83 -30.6 63.21 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.828 -0.701 . . . . 0.91 113.073 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -77.85 -29.91 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 2.22 110.792 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.2 p -75.64 163.24 27.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.978 0.418 . . . . 1.94 110.614 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -79.63 1.1 27.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 5.07 110.742 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -79.66 75.52 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.24 0.543 . . . . 2.78 110.584 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -110.88 -41.33 4.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.417 -0.81 . . . . 6.17 109.739 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.48 -11.52 58.14 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.502 -0.639 . . . . 3.3 111.502 175.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 65.52 -149.8 0.24 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.886 0.475 . . . . 4.2 110.945 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -76.32 -63.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.948 -0.76 . . . . 7.06 108.948 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.3 mt -151.89 147.81 27.04 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.093 -0.706 . . . . 6.82 109.093 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 66.06 -172.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.778 0.674 . . . . 3.2 111.809 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.3 -27.91 38.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.359 -0.382 . . . . 5.67 110.862 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.9 mt 62.91 131.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.136 -0.938 . . . . 3.35 111.745 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.32 -34.46 73.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 114.973 -1.012 . . . . 3.56 112.78 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -87.1 -40.67 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 2.26 111.872 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m -71.62 149.4 45.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.182 -0.463 . . . . 3.22 111.165 -173.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.285 -0.864 . . . . 4.3 110.333 -177.766 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.214 -0.291 . . . . 7.31 110.214 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' VAL . . . . . . . . . . . . . 14.5 p -165.79 159.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 110.048 -0.353 . . . . 5.19 110.048 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -150.93 60.75 0.92 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.095 -1.076 . . . . 5.72 108.095 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -101.88 173.66 6.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.421 -0.809 . . . . 2.88 110.429 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.28 157.33 34.18 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.836 -0.62 . . . . 1.46 109.797 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 32.5 p -111.3 157.59 19.99 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.312 -0.404 . . . . 1.49 110.59 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.451 ' HB2' ' CE1' ' B' ' 44' ' ' PHE . 15.1 pttm -50.98 -38.74 52.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.143 0.424 . . . . 1.14 112.143 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -58.6 -54.41 47.41 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.158 0.504 . . . . 2.11 110.99 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.17 -43.79 98.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.321 -0.854 . . . . 1.68 111.005 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.515 HG13 ' CZ ' ' A' ' 15' ' ' TYR . 47.9 mm -66.68 -49.47 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 0.96 110.772 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.35 -37.26 69.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.518 -0.31 . . . . 0.24 111.352 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.12 71.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.33 110.748 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.25 -38.57 91.68 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.68 -0.489 . . . . 1.56 109.68 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.458 HD13 HG23 ' A' ' 12' ' ' ILE . 66.4 mt -59.08 -57.22 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.797 -0.638 . . . . 0.24 112.022 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.04 -33.16 61.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.772 -0.371 . . . . 0.18 110.742 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.57 110.385 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.482 ' CZ ' HG13 ' A' ' 8' ' ' ILE . 47.4 t80 -66.89 -44.94 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 1.39 110.967 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.56 -34.25 77.8 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.834 -0.346 . . . . 1.04 110.64 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 m -62.81 -33.39 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.9 110.452 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.0 m -72.1 -40.89 67.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 0.84 110.446 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.433 HG23 ' HB2' ' B' ' 24' ' ' GLU . 40.0 mm -60.14 -50.26 80.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 0.28 111.367 -178.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.75 -33.76 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.558 -0.292 . . . . 0.34 111.09 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.42 -42.68 98.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 2.49 111.199 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -85.82 -1.95 57.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 1.41 110.914 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 62.14 40.82 11.44 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.57 -0.741 . . . . 1.79 110.688 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.433 ' HB2' HG23 ' B' ' 19' ' ' ILE . 19.1 mm-40 -72.85 -14.36 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.186 -0.916 . . . . 1.84 111.186 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.14 145.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.129 -0.487 . . . . 0.36 109.851 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -62.35 164.11 7.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.47 111.812 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -52.83 -48.71 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.459 0.54 . . . . 1.87 112.459 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.97 -45.4 93.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.129 0.49 . . . . 1.84 110.168 -176.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.97 97.41 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.579 -0.737 . . . . 0.3 111.942 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.44 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.571 0.224 . . . . 0.24 111.348 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.03 -38.29 88.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.926 0.393 . . . . 1.47 110.563 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -64.23 -36.88 85.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.85 -0.613 . . . . 0.92 110.193 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.72 -35.05 72.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 0.21 110.477 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.77 -49.55 77.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.21 110.773 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.27 -30.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 0.26 110.639 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.504 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -62.97 -52.11 64.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.491 -0.322 . . . . 0.18 110.432 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 74.4 mtm -58.62 -36.25 73.76 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.443 -0.344 . . . . 0.21 111.021 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.15 -48.86 79.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 1.68 110.309 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.61 -37.39 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.27 111.102 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 36' ' ' ALA . 84.5 mt -63.86 -47.54 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 0.16 110.264 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.516 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 15.7 m -63.78 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 1.13 110.256 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.11 -48.94 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.698 -0.683 . . . . 2.23 110.865 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.93 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.579 -0.737 . . . . 0.25 112.219 -175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' B' ' 5' ' ' LYS . 90.5 m-85 -89.72 -4.42 57.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 1.15 111.538 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.77 48.93 52.68 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.43 113.427 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 19.0 p90 -134.87 171.91 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.203 0.501 . . . . 1.27 110.728 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.13 153.07 20.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 1.92 109.724 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -79.3 -16.16 56.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.145 0.498 . . . . 2.57 110.172 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -84.17 -15.16 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.686 -0.688 . . . . 2.24 110.223 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.98 -0.39 56.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.48 111.429 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.538 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 26.1 m -50.16 -42.27 19.68 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.41 112.092 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.5 p -61.14 -48.9 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.01 0.434 . . . . 1.25 110.856 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.83 84.8 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.59 112.977 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 32.3 mt -74.1 -46.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.57 110.838 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 75.4 mt -57.89 -42.09 83.95 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.142 -0.481 . . . . 0.65 111.343 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.99 -30.24 63.25 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.897 -0.668 . . . . 0.91 113.161 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -78.22 -29.6 48.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.815 0.34 . . . . 2.21 110.831 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 87.0 p -75.9 162.99 27.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 1.94 110.691 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.3 0.93 26.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.902 -0.59 . . . . 5.06 110.822 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -79.48 75.68 6.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.221 0.534 . . . . 2.78 110.463 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -111.27 -40.67 4.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.519 -0.764 . . . . 6.16 109.769 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.17 -11.3 57.61 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.789 -0.641 . . . . 3.3 111.599 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 65.34 -149.85 0.25 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 122.959 0.504 . . . . 4.2 110.825 174.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -76.68 -63.11 1.42 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.962 -0.755 . . . . 7.07 108.962 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 80.5 mt -152.13 147.8 26.88 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.227 -0.657 . . . . 6.83 109.227 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . 66.06 -172.47 0.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.677 0.611 . . . . 3.2 111.756 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -80.1 -27.95 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.237 -0.438 . . . . 5.67 110.942 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.41 HG22 ' H ' ' B' ' 70' ' ' ASN . 42.9 mt 62.88 130.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.89 0.852 . . . . 3.35 111.807 -174.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 99.4 mt -60.61 -33.37 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.984 -1.007 . . . . 3.55 112.851 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.41 ' H ' HG22 ' B' ' 68' ' ' ILE . 3.0 t-20 -87.99 -40.68 13.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 2.27 111.93 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 20.7 m -71.57 149.35 45.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.225 -0.443 . . . . 3.23 111.202 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.393 -0.813 . . . . 4.3 110.484 -177.618 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 121.152 0.501 . . . . 7.31 109.935 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' VAL . . . . . 0.521 HG12 ' OG ' ' A' ' 4' ' ' SER . 3.0 p -179.68 171.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 107.926 -1.138 . . . . 5.19 107.926 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.446 ' H ' HG22 ' A' ' 0' ' ' VAL . 38.5 t70 -111.78 -17.95 12.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.423 0.63 . . . . 5.73 110.891 -172.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.61 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 28.6 t -93.18 29.88 1.79 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.494 -0.776 . . . . 2.89 110.335 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 75.41 127.07 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.283 -0.872 . . . . 1.46 110.284 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.521 ' OG ' HG12 ' A' ' 0' ' ' VAL . 15.7 m -92.5 148.5 22.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.141 -0.481 . . . . 1.49 110.22 -172.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -56.16 -32.2 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.812 -0.631 . . . . 1.14 111.195 176.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -63.97 -47.28 81.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.029 0.442 . . . . 2.11 110.303 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.38 -43.9 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.394 -0.821 . . . . 1.68 110.39 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 12' ' ' ILE . 44.5 mm -63.73 -51.81 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.595 -0.729 . . . . 0.96 110.152 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.54 72.82 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.302 -0.408 . . . . 0.25 111.565 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.21 78.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.33 110.618 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -38.07 89.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.539 -0.541 . . . . 1.56 109.539 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.514 HD13 HG23 ' B' ' 12' ' ' ILE . 66.4 mt -58.76 -57.31 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 0.25 112.067 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.54 -37.76 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.18 110.854 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.511 ' ND2' HD22 ' A' ' 70' ' ' ASN . 57.3 t30 -63.17 -34.63 78.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.57 110.722 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.421 ' O ' HG12 ' A' ' 19' ' ' ILE . 69.6 t80 -68.53 -46.05 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 1.4 110.749 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -65.08 -34.09 77.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 1.05 110.667 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -61.95 -33.15 73.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 0.9 109.958 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.515 ' OG ' ' HE2' ' A' ' 22' ' ' LYS . 22.3 t -73.73 -43.36 59.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.84 110.122 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 15' ' ' TYR . 47.3 mm -60.07 -44.74 95.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.255 -0.43 . . . . 0.28 111.37 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.11 -33.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.598 0.237 . . . . 0.34 111.001 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.46 -45.95 85.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.923 0.392 . . . . 2.49 110.85 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.515 ' HE2' ' OG ' ' A' ' 18' ' ' SER . 65.3 mttm -78.03 -6.78 55.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 1.42 110.817 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 56.99 39.01 29.67 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.072 -0.967 . . . . 1.79 111.486 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 36.9 mt-10 -77.55 -5.66 50.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.83 111.082 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.87 146.28 31.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.858 -0.423 . . . . 0.36 109.858 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -54.63 150.12 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 1.45 111.498 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -51.37 -49.48 61.41 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.51 0.559 . . . . 1.87 112.51 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.72 -41.96 99.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 1.85 110.357 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.81 99.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.31 111.839 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.05 82.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 0.24 111.02 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.09 -38.68 89.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 1.46 110.512 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -64.05 -32.35 73.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.92 110.332 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.1 mt -73.16 -35.91 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.21 110.521 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -58.32 -50.14 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.21 110.712 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.02 -29.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 0.25 110.584 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -63.83 -50.44 68.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.444 -0.344 . . . . 0.18 110.531 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.46 -40.68 75.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.21 111.472 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.61 -40.33 96.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 1.68 110.856 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.17 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.26 110.379 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 36' ' ' ALA . 82.1 mt -70.89 -48.19 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.16 111.09 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.602 ' HA ' ' CE1' ' A' ' 46' ' ' PHE . 12.1 p -61.71 -43.52 98.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.348 . . . . 1.13 111.049 -177.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 2.23 110.768 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.67 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.25 111.603 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -90.55 -2.95 57.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 1.15 111.195 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.31 57.22 7.71 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.686 -0.688 . . . . 0.43 113.005 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 25.3 p90 -144.04 167.19 22.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.84 0.352 . . . . 1.27 110.365 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -99.75 153.05 19.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.14 -0.482 . . . . 1.92 109.738 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -80.13 -18.87 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.981 0.42 . . . . 2.57 110.12 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -85.92 -13.35 48.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.024 -0.535 . . . . 2.23 110.878 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.69 2.42 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.48 110.942 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 16.1 m -49.84 -46.5 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.71 -0.677 . . . . 0.41 112.81 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.6 t -59.98 -45.6 92.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 1.24 110.831 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.77 83.89 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.962 -0.563 . . . . 0.59 112.828 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.72 -42.36 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.947 0.403 . . . . 0.57 110.299 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 51' ' ' VAL . 87.2 mt -56.41 -31.77 64.21 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.869 -0.605 . . . . 0.65 111.647 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.43 -19.24 5.89 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 121.184 -0.531 . . . . 0.91 114.274 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -75.31 -27.46 59.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.393 0.596 . . . . 2.22 111.201 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.8 p -150.76 110.83 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.164 0.507 . . . . 1.94 111.017 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.01 -12.51 59.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 5.07 110.267 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 24.4 m-85 70.22 -73.81 0.09 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.44 -0.8 . . . . 2.78 110.256 -178.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 88.0 tttt 159.56 -46.38 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.308 1.043 . . . . 6.17 109.667 174.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.2 -5.94 6.01 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.252 -0.885 . . . . 3.3 111.144 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 65.06 -168.23 0.21 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.768 0.427 . . . . 4.2 110.864 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -71.61 -68.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.235 -0.654 . . . . 7.06 109.235 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 mp -135.12 121.42 20.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.906 -0.588 . . . . 6.82 109.617 174.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.605 ' HA ' ' O ' ' B' ' 2' ' ' SER . . . -167.59 146.08 4.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.728 -0.669 . . . . 3.2 109.252 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.0 -63.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.554 -0.458 . . . . 5.67 110.771 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 13.9 mt 43.89 39.84 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.75 0.786 . . . . 3.35 111.27 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.27 -8.99 58.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.426 0.631 . . . . 3.56 110.159 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.511 HD22 ' ND2' ' A' ' 14' ' ' ASN . 5.0 p-10 -88.24 -6.14 57.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.966 -1.016 . . . . 2.26 111.058 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.8 t -114.66 171.44 7.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.729 0.299 . . . . 3.22 110.44 -176.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.395 -0.812 . . . . 4.3 110.033 178.839 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 121.25 0.548 . . . . 7.31 109.846 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' VAL . . . . . 0.528 HG12 ' OG ' ' B' ' 4' ' ' SER . 2.9 p -179.39 171.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 107.999 -1.112 . . . . 5.19 107.999 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.449 ' H ' HG22 ' B' ' 0' ' ' VAL . 38.5 t70 -112.06 -18.69 12.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.393 0.616 . . . . 5.72 110.918 -172.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.605 ' O ' ' HA ' ' A' ' 66' ' ' ALA . 28.4 t -92.55 29.91 1.63 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.43 -0.805 . . . . 2.88 110.449 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 75.61 127.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.274 -0.876 . . . . 1.46 110.242 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.528 ' OG ' HG12 ' B' ' 0' ' ' VAL . 16.1 m -92.63 148.56 21.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.141 -0.482 . . . . 1.49 110.328 -172.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 12.5 pttm -56.06 -32.38 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.69 -0.686 . . . . 1.14 111.153 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -64.04 -47.17 81.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.046 0.45 . . . . 2.11 110.338 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -60.44 -44.01 96.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.345 -0.843 . . . . 1.68 110.373 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.45 ' O ' HG13 ' B' ' 12' ' ' ILE . 44.1 mm -63.6 -51.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 0.96 110.206 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.54 72.55 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.336 -0.393 . . . . 0.24 111.603 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.13 78.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 0.33 110.601 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.06 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.432 -0.581 . . . . 1.56 109.432 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 12' ' ' ILE . 67.0 mt -58.6 -57.38 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.529 -0.759 . . . . 0.24 112.136 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.67 -37.55 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.44 . . . . 0.18 110.824 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.507 ' ND2' HD22 ' B' ' 70' ' ' ASN . 57.3 t30 -63.31 -34.6 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 0.57 110.742 177.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.419 ' O ' HG12 ' B' ' 19' ' ' ILE . 69.6 t80 -68.45 -46.11 70.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 1.39 110.718 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.09 -34.08 77.56 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.954 -0.298 . . . . 1.04 110.637 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 29.8 t -61.85 -33.25 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 0.9 109.859 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.514 ' OG ' ' HE2' ' B' ' 22' ' ' LYS . 23.0 t -73.86 -43.3 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.899 -0.591 . . . . 0.84 110.184 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 15' ' ' TYR . 47.6 mm -59.91 -44.93 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.28 111.417 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.03 -33.64 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.124 -0.23 . . . . 0.34 111.117 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.38 -46.29 83.97 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 2.49 110.831 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.514 ' HE2' ' OG ' ' B' ' 18' ' ' SER . 65.1 mttm -77.81 -6.61 54.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.965 0.412 . . . . 1.41 110.752 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.88 39.12 29.7 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.134 -0.939 . . . . 1.79 111.347 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.52 -5.6 50.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 1.84 111.135 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.73 146.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.44 . . . . 0.36 109.945 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -54.63 149.96 10.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 1.47 111.44 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -51.24 -49.86 60.3 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.537 0.569 . . . . 1.87 112.537 -171.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.31 -42.19 99.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 1.84 110.413 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.84 99.75 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.3 111.803 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.12 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 0.24 111.102 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.06 -38.65 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 1.47 110.495 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -63.96 -32.45 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.87 -0.605 . . . . 0.92 110.375 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.13 -35.83 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.608 0.242 . . . . 0.21 110.478 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -58.37 -50.15 74.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.21 110.779 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.97 -29.94 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 0.26 110.675 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 40' ' ' ILE . . . -63.65 -50.38 69.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.18 110.569 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 75.9 mtm -56.54 -40.8 75.72 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.149 -0.478 . . . . 0.21 111.467 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.61 -40.29 96.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 1.68 110.762 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -35.38 80.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.42 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 36' ' ' ALA . 82.3 mt -70.96 -47.98 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.16 111.068 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.607 ' HA ' ' CE1' ' B' ' 46' ' ' PHE . 11.0 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.496 -0.32 . . . . 1.13 111.131 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.9 -31.57 70.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 2.23 110.748 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.54 -51.75 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.688 0.28 . . . . 0.25 111.664 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -90.63 -2.65 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 1.15 111.288 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.03 57.37 7.78 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.536 -0.756 . . . . 0.43 113.029 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.607 ' CE1' ' HA ' ' B' ' 41' ' ' SER . 25.2 p90 -144.43 166.48 25.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.89 0.345 . . . . 1.27 110.374 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -99.16 153.1 19.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 1.92 109.81 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -80.19 -18.65 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.005 0.431 . . . . 2.57 110.14 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -86.5 -12.61 48.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 2.24 110.874 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.1 2.38 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 0.48 111.042 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 16.0 m -49.85 -46.19 22.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 112.879 0.696 . . . . 0.41 112.879 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.4 t -60.4 -45.53 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 1.25 110.69 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.96 83.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.59 112.765 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 25.1 mt -74.56 -42.34 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.983 0.42 . . . . 0.57 110.291 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 51' ' ' VAL . 86.8 mt -56.56 -31.79 64.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.874 -0.603 . . . . 0.65 111.716 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.98 -19.89 5.81 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 121.222 -0.513 . . . . 0.91 114.226 174.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -74.94 -27.71 60.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 117.472 0.636 . . . . 2.21 111.173 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.6 p -150.45 111.07 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.276 0.56 . . . . 1.94 110.92 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -81.08 -12.44 59.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 5.06 110.259 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' B' ' 61' ' ' LYS . 24.4 m-85 70.22 -73.89 0.09 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.589 -0.732 . . . . 2.78 110.274 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 88.0 tttt 159.61 -46.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.247 1.019 . . . . 6.16 109.768 173.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.4 -5.95 5.94 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.219 -0.9 . . . . 3.3 111.141 -173.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 64.93 -168.5 0.21 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.852 0.461 . . . . 4.2 110.862 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -71.31 -69.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.253 -0.647 . . . . 7.07 109.253 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mp -134.84 121.8 21.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.87 -0.605 . . . . 6.83 109.591 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.61 ' HA ' ' O ' ' A' ' 2' ' ' SER . . . -168.02 145.88 4.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.672 -0.695 . . . . 3.2 109.333 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.73 -63.09 1.21 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.471 -0.491 . . . . 5.67 110.753 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 14.2 mt 43.84 39.83 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-O 121.703 0.763 . . . . 3.35 111.228 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.22 -8.85 58.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.549 0.69 . . . . 3.55 110.116 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.507 HD22 ' ND2' ' B' ' 14' ' ' ASN . 5.0 p-10 -88.32 -6.22 57.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.066 -0.97 . . . . 2.27 111.045 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -114.54 171.86 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.528 -0.306 . . . . 3.23 110.505 -176.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.597 -0.716 . . . . 4.3 109.902 178.788 . . . . . . . . 0 0 . 1 stop_ save_