data_2rmy_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 2rmy _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 -0.052 0 CA-C-O 121.151 0.501 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -62.55 -35.27 78.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.119 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.87 -48.42 63.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.858 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.96 -32.23 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.011 0.434 . . . . 0.0 110.152 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -55.8 -39.64 71.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.567 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -60.87 -39.16 88.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.212 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -32.28 73.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.053 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.02 -39.82 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.499 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -33.9 75.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -68.29 -37.35 80.56 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.993 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.94 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.433 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.2 mt-30 -61.34 -49.04 78.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.318 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HA ' HD13 ' A' ' 30' ' ' LEU . 11.1 mm-40 -66.72 -29.68 69.73 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.112 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.53 -40.48 63.97 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 26' ' ' GLN . 31.4 m -59.31 -31.95 47.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.739 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 27' ' ' GLU . 22.8 mt -57.55 -30.11 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.161 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.6 -29.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.212 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -77.21 -43.19 34.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.677 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.43 -69.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.749 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.896 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 121.033 0.444 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.7 t -59.79 -35.18 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.899 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 5.1 m-80 -70.41 -46.17 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.029 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.84 -30.43 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 68.0 mm-40 -55.82 -43.63 77.11 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.338 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' O ' HG21 ' A' ' 23' ' ' THR . 15.5 mmmt -57.41 -43.72 83.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.338 0.59 . . . . 0.0 109.689 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.966 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -81.91 -20.74 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.402 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.471 HG21 ' HD2' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -65.64 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.035 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HD2' HG21 ' A' ' 23' ' ' THR . 6.7 mpt_? -67.2 -47.82 69.76 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.96 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.245 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' O ' HG23 ' A' ' 29' ' ' VAL . 42.3 mt-30 -59.87 -46.46 89.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.692 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HA ' HD11 ' A' ' 30' ' ' LEU . 41.1 mt-10 -67.35 -29.7 69.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.911 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -73.01 -42.06 63.62 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 26' ' ' GLN . 28.8 m -58.92 -31.81 46.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.597 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 27' ' ' GLU . 32.3 mt -57.41 -33.47 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -63.64 -27.33 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -75.93 -48.59 20.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.591 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mt -80.68 -72.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.917 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.962 0.41 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -61.08 -35.55 77.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 26.6 m-20 -70.67 -49.26 49.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.552 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.05 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -54.2 -39.93 67.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 13.3 mmmt -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.5 mttt -70.57 -31.22 68.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.335 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.0 -15.79 40.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -35.35 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.18 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 28.3 ptt180 -68.52 -33.97 75.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.61 90.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.944 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 29' ' ' VAL . 25.8 mt-30 -61.13 -44.45 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.68 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HA ' HD11 ' A' ' 30' ' ' LEU . 31.2 mt-10 -67.91 -30.02 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -72.11 -43.35 64.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.989 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 26' ' ' GLN . 30.3 m -58.96 -32.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.637 0.256 . . . . 0.0 110.756 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD11 ' HA ' ' A' ' 27' ' ' GLU . 24.5 mt -58.27 -31.08 67.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 109.919 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.66 -32.17 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.732 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -77.38 -43.27 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.71 -71.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.882 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.14 0.495 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.8 t -63.32 -34.93 78.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.406 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' N ' HD21 ' A' ' 17' ' ' ASN . 1.1 m-80 -68.26 -45.73 72.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.516 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.533 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 33.2 m -67.67 -33.35 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -50.61 70.39 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.761 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.591 ' C ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.13 -25.02 66.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.618 0.247 . . . . 0.0 111.456 -179.402 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.533 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 73.4 mttt -71.07 -31.45 67.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.041 0.448 . . . . 0.0 110.545 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.41 -16.29 43.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -32.33 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.56 -36.69 84.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.276 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.33 88.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.493 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' O ' HG22 ' A' ' 29' ' ' VAL . 25.6 mt-30 -60.93 -45.79 93.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.848 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' A' ' 30' ' ' LEU . 30.4 mt-10 -67.66 -29.69 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -71.68 -43.11 66.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.934 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 26' ' ' GLN . 27.8 m -59.38 -31.87 47.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.996 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 27' ' ' GLU . 25.1 mt -58.36 -33.81 69.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.111 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.75 -27.32 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.636 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -73.2 -45.18 57.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.73 -68.44 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.049 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 121.039 0.447 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 m -63.74 -35.33 80.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.401 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.432 ' N ' HD21 ' A' ' 17' ' ' ASN . 0.9 OUTLIER -71.68 -39.34 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.025 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.537 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 30.2 m -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.355 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -55.7 -34.72 65.33 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmmm -64.11 -39.03 93.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.537 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.37 -31.07 66.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.543 178.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 21' ' ' LYS . 3.9 tp -69.09 -36.08 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.179 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -66.22 -31.69 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.254 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.73 -32.22 73.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.834 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.38 87.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.226 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.582 ' N ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER -60.42 -46.43 90.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.5 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HA ' HD11 ' A' ' 30' ' ' LEU . 10.2 mm-40 -67.64 -29.74 69.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 84.7 tttt -71.58 -42.96 67.12 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.489 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 29.8 m -59.02 -32.09 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.638 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 27' ' ' GLU . 35.1 mt -56.74 -30.33 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.097 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 44.2 mt-30 -59.32 -34.87 72.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -77.99 -41.21 36.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.462 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.6 mm? -80.0 -81.9 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.965 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 C--O 1.227 -0.09 0 CA-C-O 120.928 0.394 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 t -62.22 -34.93 77.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 0.0 110.522 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.453 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 74.8 m-20 -71.09 -40.16 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.597 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.459 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 28.4 m -65.65 -30.04 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.249 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 31.2 mm-40 -54.89 -39.5 68.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.849 0.357 . . . . 0.0 110.727 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' O ' HG21 ' A' ' 23' ' ' THR . 7.0 mmmm -61.15 -37.92 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.17 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.459 ' NZ ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.28 -32.1 68.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.109 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.83 -33.74 76.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.41 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.49 HG21 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -64.69 -32.36 73.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -66.81 -43.21 84.4 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.942 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.21 74.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.141 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.458 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 8.6 mt-30 -60.87 -45.1 95.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.713 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HA ' HD13 ' A' ' 30' ' ' LEU . 30.5 mt-10 -67.62 -30.79 70.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.571 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.514 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.92 -43.18 62.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.009 -179.443 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.7 m -58.99 -31.52 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.621 0.248 . . . . 0.0 110.651 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 27' ' ' GLU . 39.1 mt -56.63 -35.25 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.088 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.514 HE21 ' HA ' ' A' ' 28' ' ' LYS . 49.0 mt-30 -63.2 -28.94 70.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.727 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -74.47 -45.4 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.51 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 mt -81.0 -71.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.945 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.478 ' O ' HG21 ' A' ' 18' ' ' VAL . . . . . . . . 0 C--O 1.227 -0.103 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -63.16 -35.19 79.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.529 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -73.33 -25.79 60.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 15' ' ' ALA . 3.6 m -62.67 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.594 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.466 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 3.3 tt0 -55.84 -38.25 69.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.976 0.417 . . . . 0.0 110.132 178.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmpt? -59.33 -43.03 92.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -31.46 67.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.717 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . 4.3 tp -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.859 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -67.57 -32.18 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.485 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -64.95 -44.16 90.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.86 85.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.115 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.438 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 10.4 mt-30 -62.23 -49.05 77.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.372 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.5 pt-20 -65.49 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.83 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.14 -42.52 59.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.111 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 15.9 m -59.68 -31.62 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 110.743 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 27' ' ' GLU . 30.4 mt -54.89 -26.63 37.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.002 0.43 . . . . 0.0 109.915 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.24 -39.18 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.351 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.32 -33.96 55.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.781 0.324 . . . . 0.0 111.026 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.84 -67.96 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.274 -0.87 . . . . 0.0 111.038 -179.723 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 121.094 0.474 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -63.99 -36.08 82.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.183 0.516 . . . . 0.0 110.966 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -71.76 -38.29 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.885 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 15' ' ' ALA . 33.7 m -64.65 -32.33 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.19 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -55.85 -39.28 71.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.866 0.365 . . . . 0.0 110.288 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.483 ' O ' HG21 ' A' ' 23' ' ' THR . 18.8 mmmt -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.482 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -31.52 67.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.69 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 tp -65.06 -42.86 93.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.724 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -68.12 -31.02 70.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 0.0 110.329 179.336 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -60.68 -35.66 76.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.276 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.84 87.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.39 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 23.6 mt-30 -61.59 -46.63 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.914 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.5 mm-40 -67.48 -29.58 69.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HA ' HE21 ' A' ' 31' ' ' GLN . 1.7 tttp -71.7 -43.8 65.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.041 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 26' ' ' GLN . 18.1 m -59.51 -31.83 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.678 0.275 . . . . 0.0 110.671 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 27' ' ' GLU . 43.9 mt -56.78 -28.43 61.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.979 0.419 . . . . 0.0 110.232 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.491 HE21 ' HA ' ' A' ' 28' ' ' LYS . 47.5 mt-30 -70.05 -31.92 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.739 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.45 -41.41 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.75 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.48 -65.93 0.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . . . . . . 0 C--O 1.226 -0.153 0 CA-C-O 121.132 0.491 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -63.39 -35.26 79.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.908 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.91 -43.56 78.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.383 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 15' ' ' ALA . 35.4 m -64.1 -28.31 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.52 0.2 . . . . 0.0 111.513 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 21.1 mm-40 -53.59 -42.7 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -51.39 68.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.897 0.856 . . . . 0.0 109.421 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 14.0 mptt -56.98 -31.09 64.68 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.255 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.07 -21.16 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.044 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -36.16 80.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.606 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 30.8 ptt180 -67.71 -31.94 72.23 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.44 90.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.028 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -60.77 -42.46 97.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.406 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 32.6 mt-10 -65.59 -30.73 71.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 61.4 tttp -75.57 -43.08 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 31.5 m -62.44 -39.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.579 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 3.7 pp -62.9 -27.99 69.74 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.252 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.0 mt-30 -60.94 -28.76 69.2 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.962 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 12.8 ptmt -73.99 -23.84 59.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.98 0.419 . . . . 0.0 110.198 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.92 -60.42 2.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.96 -179.782 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.053 0.454 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -61.39 -35.19 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.76 -48.62 63.25 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.573 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.547 ' HA ' ' HZ3' ' A' ' 21' ' ' LYS . 34.4 m -66.52 -27.04 39.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.901 0.381 . . . . 0.0 111.381 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.41 -50.47 65.1 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.587 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -62.01 -25.0 67.39 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.322 -178.605 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.587 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.18 -44.35 65.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HG ' ' HD2' ' A' ' 21' ' ' LYS . 96.0 mt -68.31 -28.45 67.18 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -67.52 -46.88 71.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.384 179.335 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -68.1 -33.36 74.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.085 0.469 . . . . 0.0 109.83 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.49 93.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.086 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 29' ' ' VAL . 27.3 mt-30 -58.24 -45.46 87.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.0 mt-10 -65.79 -29.09 69.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.598 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 30.9 ttmt -75.2 -43.32 52.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.078 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 26' ' ' GLN . 34.8 m -62.07 -39.28 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 4.0 pp -62.59 -32.06 72.98 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.907 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.8 mt-30 -61.76 -28.54 69.52 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -72.42 -29.05 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.281 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -81.74 -66.44 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.937 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.13 -163.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -74.24 -45.1 50.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.8 mtm 43.75 60.83 2.51 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.269 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.87 -114.87 0.18 Allowed Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.653 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -76.11 -1.0 23.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 111.355 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -81.28 -54.07 5.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.595 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.51 -35.77 59.34 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.531 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m -71.25 -27.46 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.631 0.253 . . . . 0.0 111.589 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.7 m -90.39 -62.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.391 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.426 ' HA ' HD11 ' A' ' 14' ' ' ILE . . . -58.04 -25.88 61.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.319 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.98 -30.66 72.19 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.716 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HD2' HD12 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -68.48 -37.27 79.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.878 179.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' A' ' 11' ' ' ALA . 3.9 mp -66.85 -41.4 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.89 -51.99 65.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.151 0.501 . . . . 0.0 110.855 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -62.55 -35.27 78.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.119 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.87 -48.42 63.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.858 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.96 -32.23 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.011 0.434 . . . . 0.0 110.152 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -55.8 -39.64 71.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.567 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -60.87 -39.16 88.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.212 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -32.28 73.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.053 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.02 -39.82 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.499 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -33.9 75.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -68.29 -37.35 80.56 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.993 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.94 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.433 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.2 mt-30 -61.34 -49.04 78.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.318 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HA ' HD13 ' A' ' 30' ' ' LEU . 11.1 mm-40 -66.72 -29.68 69.73 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.112 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.53 -40.48 63.97 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 26' ' ' GLN . 31.4 m -59.31 -31.95 47.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.739 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 27' ' ' GLU . 22.8 mt -57.55 -30.11 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.161 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.6 -29.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.212 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -77.21 -43.19 34.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.677 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.43 -69.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.749 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.896 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.67 84.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.415 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 45.42 28.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.619 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.0 mtt 47.17 -155.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 7' ' ' LYS . . . -161.64 107.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.504 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t 67.86 -2.96 1.27 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.95 0.405 . . . . 0.0 110.722 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 5' ' ' GLY . 34.1 mmtp -82.89 -34.4 26.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.017 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.72 -44.62 38.32 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.358 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.46 -40.34 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 12' ' ' GLY . 87.0 m -96.55 -65.22 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . -64.05 -1.8 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.654 0.264 . . . . 0.0 111.564 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 10' ' ' THR . . . -68.03 -45.16 74.42 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.812 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -32.15 72.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.732 0.301 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mm -67.44 -39.4 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.615 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . -54.15 -51.33 64.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.93 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.7 t -59.79 -35.18 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.899 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 5.1 m-80 -70.41 -46.17 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.029 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.84 -30.43 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 68.0 mm-40 -55.82 -43.63 77.11 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.338 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' O ' HG21 ' A' ' 23' ' ' THR . 15.5 mmmt -57.41 -43.72 83.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.338 0.59 . . . . 0.0 109.689 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.966 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -81.91 -20.74 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.402 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.471 HG21 ' HD2' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -65.64 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.035 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HD2' HG21 ' A' ' 23' ' ' THR . 6.7 mpt_? -67.2 -47.82 69.76 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.96 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.245 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' O ' HG23 ' A' ' 29' ' ' VAL . 42.3 mt-30 -59.87 -46.46 89.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.692 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HA ' HD11 ' A' ' 30' ' ' LEU . 41.1 mt-10 -67.35 -29.7 69.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.911 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -73.01 -42.06 63.62 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 26' ' ' GLN . 28.8 m -58.92 -31.81 46.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.597 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 27' ' ' GLU . 32.3 mt -57.41 -33.47 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -63.64 -27.33 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -75.93 -48.59 20.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.591 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mt -80.68 -72.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.917 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.77 -38.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -74.8 -158.47 0.07 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -169.21 30.73 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.043 0.449 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.14 46.32 2.95 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.594 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 t 60.0 9.99 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.908 0.385 . . . . 0.0 111.054 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -80.78 -35.89 32.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.681 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.54 -44.05 42.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.959 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.62 -38.01 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 12' ' ' GLY . 91.8 m -102.5 -65.49 0.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HA ' HD13 ' A' ' 14' ' ' ILE . . . -64.23 0.4 0.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.736 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 10' ' ' THR . . . -68.21 -43.48 79.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.127 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' HG3' HD11 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -67.41 -34.57 77.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.827 0.313 . . . . 0.0 110.944 -179.656 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 11' ' ' ALA . 5.2 mp -68.69 -38.12 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.633 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.44 -48.25 71.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.962 0.41 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -61.08 -35.55 77.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 26.6 m-20 -70.67 -49.26 49.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.552 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.05 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -54.2 -39.93 67.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 13.3 mmmt -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.5 mttt -70.57 -31.22 68.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.335 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.0 -15.79 40.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -35.35 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.18 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 28.3 ptt180 -68.52 -33.97 75.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.61 90.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.944 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 29' ' ' VAL . 25.8 mt-30 -61.13 -44.45 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.68 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HA ' HD11 ' A' ' 30' ' ' LEU . 31.2 mt-10 -67.91 -30.02 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -72.11 -43.35 64.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.989 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 26' ' ' GLN . 30.3 m -58.96 -32.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.637 0.256 . . . . 0.0 110.756 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD11 ' HA ' ' A' ' 27' ' ' GLU . 24.5 mt -58.27 -31.08 67.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 109.919 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.66 -32.17 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.732 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -77.38 -43.27 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.71 -71.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.882 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.743 0.306 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 3' ' ' GLU . . . -164.18 75.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.434 ' HB3' ' H ' ' A' ' 4' ' ' MET . 12.5 mm-40 -160.16 -149.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.332 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.434 ' H ' ' HB3' ' A' ' 3' ' ' GLU . 61.8 mtt 51.25 61.16 3.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.25 27.28 0.25 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.546 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 49.74 23.14 0.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.925 0.393 . . . . 0.0 111.087 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -84.21 -70.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.599 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.63 -34.43 59.89 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.843 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.3 m -71.69 -29.62 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 12' ' ' GLY . 37.0 m -95.09 -58.16 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.53 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HA ' HD13 ' A' ' 14' ' ' ILE . . . -61.33 -1.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.833 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 10' ' ' THR . . . -68.23 -46.35 65.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' HG3' HD11 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -68.39 -34.6 76.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.591 0.234 . . . . 0.0 110.897 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.587 HD11 ' HG3' ' A' ' 13' ' ' LYS . 5.0 mp -67.36 -37.6 79.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.581 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.02 -46.95 75.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.14 0.495 . . . . 0.0 110.428 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.8 t -63.32 -34.93 78.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.406 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' N ' HD21 ' A' ' 17' ' ' ASN . 1.1 m-80 -68.26 -45.73 72.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.516 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.533 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 33.2 m -67.67 -33.35 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -50.61 70.39 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.761 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.591 ' C ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.13 -25.02 66.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.618 0.247 . . . . 0.0 111.456 -179.402 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.533 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 73.4 mttt -71.07 -31.45 67.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.041 0.448 . . . . 0.0 110.545 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.41 -16.29 43.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -32.33 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.56 -36.69 84.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.276 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.33 88.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.493 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' O ' HG22 ' A' ' 29' ' ' VAL . 25.6 mt-30 -60.93 -45.79 93.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.848 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' A' ' 30' ' ' LEU . 30.4 mt-10 -67.66 -29.69 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -71.68 -43.11 66.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.934 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 26' ' ' GLN . 27.8 m -59.38 -31.87 47.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.996 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 27' ' ' GLU . 25.1 mt -58.36 -33.81 69.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.111 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.75 -27.32 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.636 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -73.2 -45.18 57.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.73 -68.44 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.049 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.29 -59.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.234 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.36 179.83 4.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.7 ptp -170.86 38.15 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.25 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 7' ' ' LYS . . . -160.54 139.15 5.9 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.076 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' HA ' HG21 ' A' ' 9' ' ' VAL . 2.8 p -72.97 8.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 0.0 111.005 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -79.42 -42.61 25.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.76 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.86 -34.78 58.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.812 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG21 ' HA ' ' A' ' 6' ' ' SER . 29.0 m -72.54 -33.05 43.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.689 0.28 . . . . 0.0 111.527 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.5 m -75.46 -61.91 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.247 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.63 -25.37 64.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.312 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.29 -27.83 73.57 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.286 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -68.37 -42.83 78.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.964 0.411 . . . . 0.0 110.726 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' H ' HD12 ' A' ' 14' ' ' ILE . 4.8 mp -68.2 -38.05 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.246 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -53.29 58.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 m -63.74 -35.33 80.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.401 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' N ' HD21 ' A' ' 17' ' ' ASN . 0.9 OUTLIER -71.68 -39.34 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.025 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.537 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 30.2 m -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.355 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -55.7 -34.72 65.33 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmmm -64.11 -39.03 93.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.537 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.37 -31.07 66.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.543 178.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 21' ' ' LYS . 3.9 tp -69.09 -36.08 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.179 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -66.22 -31.69 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.254 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.73 -32.22 73.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.834 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.38 87.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.226 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.582 ' N ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER -60.42 -46.43 90.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.5 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HA ' HD11 ' A' ' 30' ' ' LEU . 10.2 mm-40 -67.64 -29.74 69.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 84.7 tttt -71.58 -42.96 67.12 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.489 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 29.8 m -59.02 -32.09 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.638 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 27' ' ' GLU . 35.1 mt -56.74 -30.33 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.097 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 44.2 mt-30 -59.32 -34.87 72.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -77.99 -41.21 36.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.462 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.6 mm? -80.0 -81.9 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.965 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.572 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 6.3 mmt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.726 0.298 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.64 -161.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.958 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.36 -29.11 57.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.2 mtt 49.21 25.52 1.23 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.418 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.29 -58.96 4.89 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.894 -0.594 . . . . 0.0 113.459 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -159.96 -0.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 0.0 110.042 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -79.85 -24.79 41.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.045 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.21 -45.56 39.17 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.301 -0.952 . . . . 0.0 111.753 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.7 m -76.04 -41.91 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.77 0.319 . . . . 0.0 111.49 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.5 m -60.93 -50.95 71.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.5 -16.83 17.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.03 -35.32 71.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.571 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -46.71 70.71 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.731 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 14' ' ' ILE . 4.2 mp -66.04 -33.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.775 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -52.79 -48.24 66.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.928 0.394 . . . . 0.0 110.991 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 t -62.22 -34.93 77.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 0.0 110.522 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.453 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 74.8 m-20 -71.09 -40.16 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.597 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.459 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 28.4 m -65.65 -30.04 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.249 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 31.2 mm-40 -54.89 -39.5 68.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.849 0.357 . . . . 0.0 110.727 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' O ' HG21 ' A' ' 23' ' ' THR . 7.0 mmmm -61.15 -37.92 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.17 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.459 ' NZ ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.28 -32.1 68.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.109 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.83 -33.74 76.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.41 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.49 HG21 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -64.69 -32.36 73.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -66.81 -43.21 84.4 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.942 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.21 74.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.141 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.458 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 8.6 mt-30 -60.87 -45.1 95.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.713 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HA ' HD13 ' A' ' 30' ' ' LEU . 30.5 mt-10 -67.62 -30.79 70.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.571 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.92 -43.18 62.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.009 -179.443 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.7 m -58.99 -31.52 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.621 0.248 . . . . 0.0 110.651 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 27' ' ' GLU . 39.1 mt -56.63 -35.25 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.088 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.514 HE21 ' HA ' ' A' ' 28' ' ' LYS . 49.0 mt-30 -63.2 -28.94 70.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.727 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -74.47 -45.4 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.51 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 mt -81.0 -71.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.945 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.22 98.76 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.88 -43.85 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.5 mtt 38.25 49.96 1.36 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.619 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.7 -25.36 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.182 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.18 9.49 0.12 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -79.39 -32.43 43.03 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.015 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.29 -41.84 51.68 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.294 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.64 -36.75 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.294 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.1 m -66.92 -47.42 71.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.05 -9.81 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.259 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.19 -47.02 47.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.324 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.551 ' HG3' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -68.55 -34.06 75.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.64 0.257 . . . . 0.0 111.037 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.551 HD13 ' HG3' ' A' ' 13' ' ' LYS . 3.4 mp -63.42 -34.77 69.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.747 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.478 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -53.38 -45.45 69.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -63.16 -35.19 79.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.529 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -73.33 -25.79 60.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 15' ' ' ALA . 3.6 m -62.67 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.594 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.466 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 3.3 tt0 -55.84 -38.25 69.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.976 0.417 . . . . 0.0 110.132 178.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmpt? -59.33 -43.03 92.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -31.46 67.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.717 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . 4.3 tp -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.859 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -67.57 -32.18 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.485 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -64.95 -44.16 90.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.86 85.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.115 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.438 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 10.4 mt-30 -62.23 -49.05 77.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.372 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.5 pt-20 -65.49 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.83 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.14 -42.52 59.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.111 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 15.9 m -59.68 -31.62 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 110.743 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 27' ' ' GLU . 30.4 mt -54.89 -26.63 37.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.002 0.43 . . . . 0.0 109.915 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.24 -39.18 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.351 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.32 -33.96 55.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.781 0.324 . . . . 0.0 111.026 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.84 -67.96 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.274 -0.87 . . . . 0.0 111.038 -179.723 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.721 0.296 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.0 83.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.423 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' A' ' 5' ' ' GLY . 32.5 mt-10 44.33 99.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.125 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.1 mtm -72.61 17.83 0.11 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.596 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 3' ' ' GLU . . . 82.39 -138.71 18.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.83 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.524 ' HA ' HG22 ' A' ' 9' ' ' VAL . 3.4 p -76.53 5.28 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.552 0.215 . . . . 0.0 111.488 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.1 -41.1 62.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.113 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.1 -48.25 20.74 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.147 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 6' ' ' SER . 4.4 m -76.3 2.26 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.037 0.446 . . . . 0.0 111.702 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -45.65 -61.93 1.5 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.449 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HA ' HD13 ' A' ' 14' ' ' ILE . . . -59.66 -22.25 61.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.58 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.54 -31.3 76.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HD2' HD11 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -68.12 -39.55 82.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.844 0.355 . . . . 0.0 110.846 179.53 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 11' ' ' ALA . 4.1 mp -67.92 -34.13 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.344 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -53.13 -46.88 68.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.094 0.474 . . . . 0.0 111.073 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -63.99 -36.08 82.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.183 0.516 . . . . 0.0 110.966 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -71.76 -38.29 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.885 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 15' ' ' ALA . 33.7 m -64.65 -32.33 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.19 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -55.85 -39.28 71.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.866 0.365 . . . . 0.0 110.288 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.483 ' O ' HG21 ' A' ' 23' ' ' THR . 18.8 mmmt -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.482 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -31.52 67.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.69 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 tp -65.06 -42.86 93.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.724 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -68.12 -31.02 70.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 0.0 110.329 179.336 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -60.68 -35.66 76.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.276 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.84 87.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.39 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 23.6 mt-30 -61.59 -46.63 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.914 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.5 mm-40 -67.48 -29.58 69.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HA ' HE21 ' A' ' 31' ' ' GLN . 1.7 tttp -71.7 -43.8 65.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.041 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 26' ' ' GLN . 18.1 m -59.51 -31.83 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.678 0.275 . . . . 0.0 110.671 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 27' ' ' GLU . 43.9 mt -56.78 -28.43 61.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.979 0.419 . . . . 0.0 110.232 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.491 HE21 ' HA ' ' A' ' 28' ' ' LYS . 47.5 mt-30 -70.05 -31.92 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.739 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.45 -41.41 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.75 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.48 -65.93 0.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.504 ' HB3' ' HE3' ' A' ' 4' ' ' MET . 22.5 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.976 0.417 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 4' ' ' MET . . . -78.96 98.85 6.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.515 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 56.21 -82.73 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.902 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.504 ' HE3' ' HB3' ' A' ' 1' ' ' MET . 57.7 mtm 68.55 102.0 0.05 Allowed 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.859 0.362 . . . . 0.0 110.958 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.28 -101.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -75.3 -6.06 47.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.152 0.501 . . . . 0.0 110.777 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 34.1 mmtp -80.97 -31.78 34.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.06 -37.01 60.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.519 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.65 -31.83 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.5 m -101.52 -65.09 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . -62.15 -18.65 61.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.704 0.288 . . . . 0.0 111.15 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.97 -28.81 73.33 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.228 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -67.72 -43.41 80.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.03 0.443 . . . . 0.0 110.354 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mm -68.62 -38.86 79.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.89 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . -54.65 -49.92 69.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.826 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -63.39 -35.26 79.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.908 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.91 -43.56 78.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.383 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 15' ' ' ALA . 35.4 m -64.1 -28.31 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.52 0.2 . . . . 0.0 111.513 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 21.1 mm-40 -53.59 -42.7 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -51.39 68.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.897 0.856 . . . . 0.0 109.421 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 14.0 mptt -56.98 -31.09 64.68 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.255 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.07 -21.16 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.044 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -36.16 80.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.606 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 30.8 ptt180 -67.71 -31.94 72.23 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.44 90.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.028 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -60.77 -42.46 97.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.406 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 32.6 mt-10 -65.59 -30.73 71.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 61.4 tttp -75.57 -43.08 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 31.5 m -62.44 -39.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.579 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 3.7 pp -62.9 -27.99 69.74 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.252 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.0 mt-30 -60.94 -28.76 69.2 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.962 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 12.8 ptmt -73.99 -23.84 59.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.98 0.419 . . . . 0.0 110.198 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.92 -60.42 2.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.96 -179.782 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.841 0.353 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.84 179.88 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 51.18 -98.19 0.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.585 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 72.0 mtm 39.69 77.07 0.05 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.885 0.374 . . . . 0.0 111.466 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.18 23.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.411 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.456 ' HA ' HG21 ' A' ' 9' ' ' VAL . 7.0 m 51.75 22.44 1.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.84 0.353 . . . . 0.0 111.34 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -83.16 -52.18 6.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.271 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.68 -38.38 57.09 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.976 -0.631 . . . . 0.0 113.428 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 6' ' ' SER . 31.2 m -71.07 -31.51 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.8 m -86.82 -62.61 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.248 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.83 -12.62 11.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.312 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.94 -55.1 9.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.798 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.77 -21.11 66.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.07 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.406 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 47.5 mm -68.78 -43.87 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.821 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.48 -51.32 65.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.933 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -61.39 -35.19 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.76 -48.62 63.25 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.573 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.547 ' HA ' ' HZ3' ' A' ' 21' ' ' LYS . 34.4 m -66.52 -27.04 39.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.901 0.381 . . . . 0.0 111.381 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.41 -50.47 65.1 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.587 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -62.01 -25.0 67.39 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.322 -178.605 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.587 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.18 -44.35 65.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HG ' ' HD2' ' A' ' 21' ' ' LYS . 96.0 mt -68.31 -28.45 67.18 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -67.52 -46.88 71.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.384 179.335 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -68.1 -33.36 74.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.085 0.469 . . . . 0.0 109.83 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.49 93.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.086 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 29' ' ' VAL . 27.3 mt-30 -58.24 -45.46 87.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.0 mt-10 -65.79 -29.09 69.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.598 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 30.9 ttmt -75.2 -43.32 52.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.078 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 26' ' ' GLN . 34.8 m -62.07 -39.28 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 4.0 pp -62.59 -32.06 72.98 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.907 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.8 mt-30 -61.76 -28.54 69.52 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -72.42 -29.05 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.281 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -81.74 -66.44 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.937 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 -0.052 0 CA-C-O 121.151 0.501 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -62.55 -35.27 78.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.119 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 6.1 m-20 -68.87 -48.42 63.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.858 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.96 -32.23 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.011 0.434 . . . . 0.0 110.152 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -55.8 -39.64 71.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.567 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 8.2 mmmm -60.87 -39.16 88.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.212 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -32.28 73.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.053 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.02 -39.82 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.499 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -33.9 75.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -68.29 -37.35 80.56 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.993 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -59.02 -40.94 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.433 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.62 ' O ' HG22 ' A' ' 29' ' ' VAL . 50.9 mt-30 -61.34 -49.04 78.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.318 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 30' ' ' LEU . 11.1 mm-40 -66.72 -29.68 69.73 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.112 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.53 -40.48 63.97 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 26' ' ' GLN . 31.4 m -59.31 -31.95 47.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.739 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 27' ' ' GLU . 22.8 mt -57.55 -30.11 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.161 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.6 -29.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.212 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -77.21 -43.19 34.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.677 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.43 -69.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.749 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.896 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 121.033 0.444 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.7 t -59.79 -35.18 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.899 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 5.1 m-80 -70.41 -46.17 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.029 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 15' ' ' ALA . 34.6 m -64.84 -30.43 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.831 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 68.0 mm-40 -55.82 -43.63 77.11 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.338 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' O ' HG22 ' A' ' 23' ' ' THR . 15.5 mmmt -57.41 -43.72 83.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.338 0.59 . . . . 0.0 109.689 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.966 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -81.91 -20.74 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.402 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -65.64 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.035 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -67.2 -47.82 69.76 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.96 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.245 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.596 ' O ' HG22 ' A' ' 29' ' ' VAL . 48.7 mt-30 -59.87 -46.46 89.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.692 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 30' ' ' LEU . 41.1 mt-10 -67.35 -29.7 69.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.911 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -73.01 -42.06 63.62 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 26' ' ' GLN . 28.8 m -58.92 -31.81 46.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.597 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 27' ' ' GLU . 32.3 mt -57.41 -33.47 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.64 -27.33 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -75.93 -48.59 20.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.591 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mt -80.68 -72.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.917 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.962 0.41 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -61.08 -35.55 77.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 26.6 m-20 -70.67 -49.26 49.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.552 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.05 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -54.2 -39.93 67.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 13.3 mmmt -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.5 mttt -70.57 -31.22 68.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.335 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.0 -15.79 40.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -66.51 -35.35 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.18 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 28.3 ptt180 -68.52 -33.97 75.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.61 90.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.944 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 29' ' ' VAL . 83.8 mt-30 -61.13 -44.45 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.68 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HA ' HD12 ' A' ' 30' ' ' LEU . 31.2 mt-10 -67.91 -30.02 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -72.11 -43.35 64.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.989 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 26' ' ' GLN . 30.3 m -58.96 -32.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.637 0.256 . . . . 0.0 110.756 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 27' ' ' GLU . 24.5 mt -58.27 -31.08 67.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 109.919 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.66 -32.17 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.732 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -77.38 -43.27 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.71 -71.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.882 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.14 0.495 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.8 t -63.32 -34.93 78.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.406 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.26 -45.73 72.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.516 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.569 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 33.2 m -67.67 -33.35 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -50.61 70.39 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.761 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.581 ' C ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.13 -25.02 66.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.618 0.247 . . . . 0.0 111.456 -179.402 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 73.4 mttt -71.07 -31.45 67.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.041 0.448 . . . . 0.0 110.545 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.41 -16.29 43.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -64.37 -32.33 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.56 -36.69 84.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.276 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.33 88.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.493 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.569 ' O ' HG22 ' A' ' 29' ' ' VAL . 83.1 mt-30 -60.93 -45.79 93.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.848 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 30' ' ' LEU . 30.4 mt-10 -67.66 -29.69 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -71.68 -43.11 66.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.934 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 26' ' ' GLN . 27.8 m -59.38 -31.87 47.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.996 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 27' ' ' GLU . 25.1 mt -58.36 -33.81 69.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.111 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.75 -27.32 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.636 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -73.2 -45.18 57.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.73 -68.44 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.049 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 121.039 0.447 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 m -63.74 -35.33 80.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.401 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 5.1 m-20 -71.68 -39.34 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.535 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 30.2 m -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.355 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 14.9 mm100 -55.7 -34.72 65.33 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmmm -64.11 -39.03 93.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.37 -31.07 66.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.543 178.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 21' ' ' LYS . 3.9 tp -69.09 -36.08 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.179 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -66.22 -31.69 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.254 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.73 -32.22 73.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.834 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.38 87.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.226 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.597 ' O ' HG22 ' A' ' 29' ' ' VAL . 1.7 mp0 -60.42 -46.43 90.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.5 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HA ' HD12 ' A' ' 30' ' ' LEU . 10.2 mm-40 -67.64 -29.74 69.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 84.7 tttt -71.58 -42.96 67.12 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 26' ' ' GLN . 29.8 m -59.02 -32.09 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.638 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 27' ' ' GLU . 35.1 mt -56.74 -30.33 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.097 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 51.5 mt-30 -59.32 -34.87 72.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -77.99 -41.21 36.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.462 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 33' ' ' LEU . 3.6 mm? -80.0 -81.9 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.965 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.606 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 C--O 1.227 -0.09 0 CA-C-O 120.928 0.394 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 t -62.22 -34.93 77.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 0.0 110.522 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 74.8 m-20 -71.09 -40.16 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.597 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 15' ' ' ALA . 28.4 m -65.65 -30.04 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.249 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 15.9 mm100 -54.89 -39.5 68.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.849 0.357 . . . . 0.0 110.727 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.575 ' O ' HG22 ' A' ' 23' ' ' THR . 7.0 mmmm -61.15 -37.92 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.17 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' NZ ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.28 -32.1 68.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.109 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.83 -33.74 76.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.41 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -64.69 -32.36 73.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -66.81 -43.21 84.4 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.942 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.21 74.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.141 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 29' ' ' VAL . 8.6 mt-30 -60.87 -45.1 95.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.713 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.518 ' HA ' HD12 ' A' ' 30' ' ' LEU . 30.5 mt-10 -67.62 -30.79 70.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.571 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -72.92 -43.18 62.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.009 -179.443 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 26' ' ' GLN . 16.7 m -58.99 -31.52 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.621 0.248 . . . . 0.0 110.651 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 27' ' ' GLU . 39.1 mt -56.63 -35.25 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.088 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -63.2 -28.94 70.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.727 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -74.47 -45.4 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.51 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 mt -81.0 -71.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.945 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.772 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 C--O 1.227 -0.103 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -63.16 -35.19 79.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.529 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -73.33 -25.79 60.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.6 m -62.67 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.594 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.486 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 10.0 tt0 -55.84 -38.25 69.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.976 0.417 . . . . 0.0 110.132 178.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmpt? -59.33 -43.03 92.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -31.46 67.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.717 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . 4.3 tp -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.859 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -67.57 -32.18 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.485 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -64.95 -44.16 90.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.86 85.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.115 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.462 ' O ' HG22 ' A' ' 29' ' ' VAL . 10.4 mt-30 -62.23 -49.05 77.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.372 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.5 pt-20 -65.49 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.83 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.14 -42.52 59.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.111 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 15.9 m -59.68 -31.62 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 110.743 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 27' ' ' GLU . 30.4 mt -54.89 -26.63 37.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.002 0.43 . . . . 0.0 109.915 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.24 -39.18 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.351 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -77.32 -33.96 55.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.781 0.324 . . . . 0.0 111.026 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 29' ' ' VAL . 32.1 mt -82.84 -67.96 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 110.823 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.274 -0.87 . . . . 0.0 111.038 -179.723 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 121.094 0.474 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -63.99 -36.08 82.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.183 0.516 . . . . 0.0 110.966 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 13.1 m-80 -71.76 -38.29 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.885 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 15' ' ' ALA . 33.7 m -64.65 -32.33 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.19 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 92.7 mt-30 -55.85 -39.28 71.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.866 0.365 . . . . 0.0 110.288 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' HG22 ' A' ' 23' ' ' THR . 18.8 mmmt -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.482 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -31.52 67.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.69 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . 3.1 tp -65.06 -42.86 93.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.724 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -68.12 -31.02 70.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 0.0 110.329 179.336 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -60.68 -35.66 76.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.276 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.84 87.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.39 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.501 ' O ' HG22 ' A' ' 29' ' ' VAL . 74.7 mt-30 -61.59 -46.63 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.914 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.5 mm-40 -67.48 -29.58 69.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -71.7 -43.8 65.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.041 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 26' ' ' GLN . 18.1 m -59.51 -31.83 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.678 0.275 . . . . 0.0 110.671 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 27' ' ' GLU . 43.9 mt -56.78 -28.43 61.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.979 0.419 . . . . 0.0 110.232 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.05 -31.92 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.739 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.45 -41.41 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.75 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.48 -65.93 0.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.563 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 C--O 1.226 -0.153 0 CA-C-O 121.132 0.491 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -63.39 -35.26 79.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.908 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.91 -43.56 78.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.383 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 15' ' ' ALA . 35.4 m -64.1 -28.31 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.52 0.2 . . . . 0.0 111.513 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 21.1 mm-40 -53.59 -42.7 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' CD ' ' H ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -62.2 -51.39 68.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.897 0.856 . . . . 0.0 109.421 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 14.0 mptt -56.98 -31.09 64.68 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.255 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.07 -21.16 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.044 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -36.16 80.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.606 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 30.8 ptt180 -67.71 -31.94 72.23 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.44 90.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.028 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 29' ' ' VAL . 75.6 mt-30 -60.77 -42.46 97.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.406 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 32.6 mt-10 -65.59 -30.73 71.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 61.4 tttp -75.57 -43.08 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 26' ' ' GLN . 31.5 m -62.44 -39.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.579 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 3.7 pp -62.9 -27.99 69.74 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.252 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 92.0 mt-30 -60.94 -28.76 69.2 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.962 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 12.8 ptmt -73.99 -23.84 59.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.98 0.419 . . . . 0.0 110.198 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.92 -60.42 2.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.96 -179.782 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.053 0.454 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -61.39 -35.19 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.76 -48.62 63.25 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.573 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' HA ' ' HZ3' ' A' ' 21' ' ' LYS . 34.4 m -66.52 -27.04 39.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.901 0.381 . . . . 0.0 111.381 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.41 -50.47 65.1 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -62.01 -25.0 67.39 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.322 -178.605 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -71.18 -44.35 65.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.484 ' HG ' ' HD2' ' A' ' 21' ' ' LYS . 96.0 mt -68.31 -28.45 67.18 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -67.52 -46.88 71.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.384 179.335 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -68.1 -33.36 74.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.085 0.469 . . . . 0.0 109.83 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.49 93.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.086 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.505 ' O ' HG22 ' A' ' 29' ' ' VAL . 88.3 mt-30 -58.24 -45.46 87.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.0 mt-10 -65.79 -29.09 69.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.598 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 30.9 ttmt -75.2 -43.32 52.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.078 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 26' ' ' GLN . 34.8 m -62.07 -39.28 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 4.0 pp -62.59 -32.06 72.98 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.907 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 92.7 mt-30 -61.76 -28.54 69.52 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -72.42 -29.05 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.281 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -81.74 -66.44 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.937 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.13 -163.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -74.24 -45.1 50.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.8 mtm 43.75 60.83 2.51 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.269 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.87 -114.87 0.18 Allowed Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.653 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' HA ' HG22 ' A' ' 9' ' ' VAL . 34.0 m -76.11 -1.0 23.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 111.355 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -81.28 -54.07 5.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.595 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.51 -35.77 59.34 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.531 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 6' ' ' SER . 21.5 m -71.25 -27.46 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.631 0.253 . . . . 0.0 111.589 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.7 m -90.39 -62.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.391 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 14' ' ' ILE . . . -58.04 -25.88 61.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.319 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.98 -30.66 72.19 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.716 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HD2' HD12 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -68.48 -37.27 79.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.878 179.524 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 11' ' ' ALA . 3.9 mp -66.85 -41.4 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.89 -51.99 65.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.151 0.501 . . . . 0.0 110.855 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -62.55 -35.27 78.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.119 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 6.1 m-20 -68.87 -48.42 63.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.858 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.96 -32.23 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.011 0.434 . . . . 0.0 110.152 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -55.8 -39.64 71.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.567 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 8.2 mmmm -60.87 -39.16 88.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.212 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -32.28 73.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.053 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.02 -39.82 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.499 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -33.9 75.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -68.29 -37.35 80.56 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.993 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -59.02 -40.94 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.433 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.62 ' O ' HG22 ' A' ' 29' ' ' VAL . 50.9 mt-30 -61.34 -49.04 78.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.318 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 30' ' ' LEU . 11.1 mm-40 -66.72 -29.68 69.73 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.112 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.53 -40.48 63.97 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 26' ' ' GLN . 31.4 m -59.31 -31.95 47.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.739 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 27' ' ' GLU . 22.8 mt -57.55 -30.11 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.161 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.6 -29.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.212 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -77.21 -43.19 34.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.677 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.43 -69.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.749 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.896 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.67 84.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.415 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 45.42 28.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.619 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.0 mtt 47.17 -155.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' A' ' 7' ' ' LYS . . . -161.64 107.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.504 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t 67.86 -2.96 1.27 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.95 0.405 . . . . 0.0 110.722 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 34.1 mmtp -82.89 -34.4 26.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.017 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.72 -44.62 38.32 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.358 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.46 -40.34 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -96.55 -65.22 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -64.05 -1.8 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.654 0.264 . . . . 0.0 111.564 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.03 -45.16 74.42 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.812 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -32.15 72.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.732 0.301 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mm -67.44 -39.4 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.615 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . -54.15 -51.33 64.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.93 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.7 t -59.79 -35.18 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.899 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 5.1 m-80 -70.41 -46.17 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.029 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 15' ' ' ALA . 34.6 m -64.84 -30.43 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.831 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 68.0 mm-40 -55.82 -43.63 77.11 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.338 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' O ' HG22 ' A' ' 23' ' ' THR . 15.5 mmmt -57.41 -43.72 83.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.338 0.59 . . . . 0.0 109.689 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.966 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -81.91 -20.74 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.402 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -65.64 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.035 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -67.2 -47.82 69.76 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.96 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.245 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.596 ' O ' HG22 ' A' ' 29' ' ' VAL . 48.7 mt-30 -59.87 -46.46 89.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.692 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 30' ' ' LEU . 41.1 mt-10 -67.35 -29.7 69.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.911 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -73.01 -42.06 63.62 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 26' ' ' GLN . 28.8 m -58.92 -31.81 46.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.597 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 27' ' ' GLU . 32.3 mt -57.41 -33.47 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.64 -27.33 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -75.93 -48.59 20.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.591 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mt -80.68 -72.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.917 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.77 -38.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -74.8 -158.47 0.07 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -169.21 30.73 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.043 0.449 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.14 46.32 2.95 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.594 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 t 60.0 9.99 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.908 0.385 . . . . 0.0 111.054 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -80.78 -35.89 32.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.681 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.54 -44.05 42.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.959 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.62 -38.01 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -102.5 -65.49 0.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 14' ' ' ILE . . . -64.23 0.4 0.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.736 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.48 79.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.127 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.54 ' HG3' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -67.41 -34.57 77.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.827 0.313 . . . . 0.0 110.944 -179.656 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 11' ' ' ALA . 5.2 mp -68.69 -38.12 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.633 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.44 -48.25 71.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.962 0.41 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -61.08 -35.55 77.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 26.6 m-20 -70.67 -49.26 49.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.552 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.05 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -54.2 -39.93 67.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 13.3 mmmt -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.5 mttt -70.57 -31.22 68.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.335 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.0 -15.79 40.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -66.51 -35.35 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.18 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 28.3 ptt180 -68.52 -33.97 75.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.61 90.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.944 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 29' ' ' VAL . 83.8 mt-30 -61.13 -44.45 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.68 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HA ' HD12 ' A' ' 30' ' ' LEU . 31.2 mt-10 -67.91 -30.02 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -72.11 -43.35 64.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.989 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 26' ' ' GLN . 30.3 m -58.96 -32.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.637 0.256 . . . . 0.0 110.756 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 27' ' ' GLU . 24.5 mt -58.27 -31.08 67.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 109.919 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.66 -32.17 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.732 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -77.38 -43.27 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.71 -71.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.882 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.743 0.306 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 3' ' ' GLU . . . -164.18 75.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' HB3' ' H ' ' A' ' 4' ' ' MET . 12.5 mm-40 -160.16 -149.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.332 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.495 ' H ' ' HB3' ' A' ' 3' ' ' GLU . 61.8 mtt 51.25 61.16 3.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.25 27.28 0.25 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.546 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 49.74 23.14 0.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.925 0.393 . . . . 0.0 111.087 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -84.21 -70.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.599 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.63 -34.43 59.89 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.843 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.3 m -71.69 -29.62 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.0 m -95.09 -58.16 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.53 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.63 ' HA ' HD13 ' A' ' 14' ' ' ILE . . . -61.33 -1.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.833 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.23 -46.35 65.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.61 ' HG3' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -68.39 -34.6 76.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.591 0.234 . . . . 0.0 110.897 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.63 HD13 ' HA ' ' A' ' 11' ' ' ALA . 5.0 mp -67.36 -37.6 79.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.581 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -55.02 -46.95 75.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.14 0.495 . . . . 0.0 110.428 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.8 t -63.32 -34.93 78.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.406 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.26 -45.73 72.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.516 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.569 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 33.2 m -67.67 -33.35 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -50.61 70.39 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.761 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' C ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.13 -25.02 66.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.618 0.247 . . . . 0.0 111.456 -179.402 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 73.4 mttt -71.07 -31.45 67.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.041 0.448 . . . . 0.0 110.545 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.41 -16.29 43.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -64.37 -32.33 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.56 -36.69 84.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.276 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.33 88.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.493 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.569 ' O ' HG22 ' A' ' 29' ' ' VAL . 83.1 mt-30 -60.93 -45.79 93.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.848 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 30' ' ' LEU . 30.4 mt-10 -67.66 -29.69 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -71.68 -43.11 66.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.934 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 26' ' ' GLN . 27.8 m -59.38 -31.87 47.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.996 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 27' ' ' GLU . 25.1 mt -58.36 -33.81 69.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.111 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.75 -27.32 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.636 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -73.2 -45.18 57.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.73 -68.44 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.049 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.29 -59.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.234 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.36 179.83 4.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.7 ptp -170.86 38.15 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.25 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 7' ' ' LYS . . . -160.54 139.15 5.9 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.076 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.465 ' HA ' HG22 ' A' ' 9' ' ' VAL . 2.8 p -72.97 8.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 0.0 111.005 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -79.42 -42.61 25.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.76 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.86 -34.78 58.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.812 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 6' ' ' SER . 29.0 m -72.54 -33.05 43.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.689 0.28 . . . . 0.0 111.527 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.5 m -75.46 -61.91 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.247 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.63 -25.37 64.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.312 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.29 -27.83 73.57 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.286 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -68.37 -42.83 78.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.964 0.411 . . . . 0.0 110.726 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 14' ' ' ILE . 4.8 mp -68.2 -38.05 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.246 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -56.08 -53.29 58.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 m -63.74 -35.33 80.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.401 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 5.1 m-20 -71.68 -39.34 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.535 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 30.2 m -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.355 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 14.9 mm100 -55.7 -34.72 65.33 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmmm -64.11 -39.03 93.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.37 -31.07 66.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.543 178.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 21' ' ' LYS . 3.9 tp -69.09 -36.08 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.179 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -66.22 -31.69 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.254 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.73 -32.22 73.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.834 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.38 87.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.226 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.597 ' O ' HG22 ' A' ' 29' ' ' VAL . 1.7 mp0 -60.42 -46.43 90.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.5 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HA ' HD12 ' A' ' 30' ' ' LEU . 10.2 mm-40 -67.64 -29.74 69.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 84.7 tttt -71.58 -42.96 67.12 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 26' ' ' GLN . 29.8 m -59.02 -32.09 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.638 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 27' ' ' GLU . 35.1 mt -56.74 -30.33 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.097 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 51.5 mt-30 -59.32 -34.87 72.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -77.99 -41.21 36.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.462 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 33' ' ' LEU . 3.6 mm? -80.0 -81.9 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.965 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mmt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.726 0.298 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.64 -161.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.958 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.36 -29.11 57.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.2 mtt 49.21 25.52 1.23 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.418 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.29 -58.96 4.89 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.894 -0.594 . . . . 0.0 113.459 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -159.96 -0.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 0.0 110.042 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -79.85 -24.79 41.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.045 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.21 -45.56 39.17 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.301 -0.952 . . . . 0.0 111.753 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.7 m -76.04 -41.91 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.77 0.319 . . . . 0.0 111.49 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.5 m -60.93 -50.95 71.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.5 -16.83 17.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.03 -35.32 71.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.571 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -46.71 70.71 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.731 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.489 ' H ' HD12 ' A' ' 14' ' ' ILE . 4.2 mp -66.04 -33.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.775 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.606 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -52.79 -48.24 66.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.928 0.394 . . . . 0.0 110.991 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 t -62.22 -34.93 77.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 0.0 110.522 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 74.8 m-20 -71.09 -40.16 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.597 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 15' ' ' ALA . 28.4 m -65.65 -30.04 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.249 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 15.9 mm100 -54.89 -39.5 68.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.849 0.357 . . . . 0.0 110.727 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.575 ' O ' HG22 ' A' ' 23' ' ' THR . 7.0 mmmm -61.15 -37.92 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.17 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' NZ ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.28 -32.1 68.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.109 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.83 -33.74 76.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.41 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -64.69 -32.36 73.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -66.81 -43.21 84.4 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.942 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.21 74.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.141 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 29' ' ' VAL . 8.6 mt-30 -60.87 -45.1 95.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.713 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.518 ' HA ' HD12 ' A' ' 30' ' ' LEU . 30.5 mt-10 -67.62 -30.79 70.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.571 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -72.92 -43.18 62.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.009 -179.443 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 26' ' ' GLN . 16.7 m -58.99 -31.52 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.621 0.248 . . . . 0.0 110.651 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 27' ' ' GLU . 39.1 mt -56.63 -35.25 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.088 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -63.2 -28.94 70.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.727 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -74.47 -45.4 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.51 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 mt -81.0 -71.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.945 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.22 98.76 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.88 -43.85 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.5 mtt 38.25 49.96 1.36 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.619 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.7 -25.36 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.182 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.18 9.49 0.12 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -79.39 -32.43 43.03 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.015 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.29 -41.84 51.68 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.294 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.64 -36.75 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.294 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 77.1 m -66.92 -47.42 71.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.05 -9.81 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.259 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.19 -47.02 47.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.324 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.585 ' HG3' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -68.55 -34.06 75.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.64 0.257 . . . . 0.0 111.037 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.585 HD12 ' HG3' ' A' ' 13' ' ' LYS . 3.4 mp -63.42 -34.77 69.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.747 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.772 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -53.38 -45.45 69.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -63.16 -35.19 79.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.529 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -73.33 -25.79 60.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.6 m -62.67 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.594 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.486 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 10.0 tt0 -55.84 -38.25 69.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.976 0.417 . . . . 0.0 110.132 178.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmpt? -59.33 -43.03 92.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -31.46 67.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.717 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . 4.3 tp -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.859 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -67.57 -32.18 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.485 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -64.95 -44.16 90.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.86 85.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.115 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.462 ' O ' HG22 ' A' ' 29' ' ' VAL . 10.4 mt-30 -62.23 -49.05 77.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.372 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.5 pt-20 -65.49 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.83 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.14 -42.52 59.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.111 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 15.9 m -59.68 -31.62 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 110.743 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 27' ' ' GLU . 30.4 mt -54.89 -26.63 37.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.002 0.43 . . . . 0.0 109.915 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.24 -39.18 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.351 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -77.32 -33.96 55.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.781 0.324 . . . . 0.0 111.026 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 29' ' ' VAL . 32.1 mt -82.84 -67.96 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 110.823 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.274 -0.87 . . . . 0.0 111.038 -179.723 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.721 0.296 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.0 83.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.423 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' C ' ' H ' ' A' ' 5' ' ' GLY . 32.5 mt-10 44.33 99.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.125 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.1 mtm -72.61 17.83 0.11 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.596 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 3' ' ' GLU . . . 82.39 -138.71 18.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.83 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.55 ' HA ' HG22 ' A' ' 9' ' ' VAL . 3.4 p -76.53 5.28 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.552 0.215 . . . . 0.0 111.488 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.1 -41.1 62.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.113 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.1 -48.25 20.74 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.147 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 6' ' ' SER . 4.4 m -76.3 2.26 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.037 0.446 . . . . 0.0 111.702 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -45.65 -61.93 1.5 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.449 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HA ' HD13 ' A' ' 14' ' ' ILE . . . -59.66 -22.25 61.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.58 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.54 -31.3 76.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HD2' HD12 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -68.12 -39.55 82.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.844 0.355 . . . . 0.0 110.846 179.53 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 14' ' ' ILE . 4.1 mp -67.92 -34.13 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.344 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -53.13 -46.88 68.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.094 0.474 . . . . 0.0 111.073 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -63.99 -36.08 82.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.183 0.516 . . . . 0.0 110.966 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 13.1 m-80 -71.76 -38.29 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.885 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 15' ' ' ALA . 33.7 m -64.65 -32.33 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.19 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 92.7 mt-30 -55.85 -39.28 71.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.866 0.365 . . . . 0.0 110.288 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' HG22 ' A' ' 23' ' ' THR . 18.8 mmmt -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.482 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -31.52 67.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.69 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . 3.1 tp -65.06 -42.86 93.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.724 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -68.12 -31.02 70.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 0.0 110.329 179.336 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -60.68 -35.66 76.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.276 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.84 87.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.39 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.501 ' O ' HG22 ' A' ' 29' ' ' VAL . 74.7 mt-30 -61.59 -46.63 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.914 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.5 mm-40 -67.48 -29.58 69.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -71.7 -43.8 65.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.041 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 26' ' ' GLN . 18.1 m -59.51 -31.83 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.678 0.275 . . . . 0.0 110.671 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 27' ' ' GLU . 43.9 mt -56.78 -28.43 61.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.979 0.419 . . . . 0.0 110.232 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.05 -31.92 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.739 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.45 -41.41 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.75 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.48 -65.93 0.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.976 0.417 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 4' ' ' MET . . . -78.96 98.85 6.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.515 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 56.21 -82.73 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.902 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' ALA . 57.7 mtm 68.55 102.0 0.05 Allowed 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.859 0.362 . . . . 0.0 110.958 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.28 -101.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -75.3 -6.06 47.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.152 0.501 . . . . 0.0 110.777 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 34.1 mmtp -80.97 -31.78 34.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.06 -37.01 60.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.519 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.65 -31.83 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.5 m -101.52 -65.09 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -62.15 -18.65 61.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.704 0.288 . . . . 0.0 111.15 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.97 -28.81 73.33 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.228 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -67.72 -43.41 80.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.03 0.443 . . . . 0.0 110.354 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mm -68.62 -38.86 79.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.89 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.563 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -54.65 -49.92 69.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.826 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -63.39 -35.26 79.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.908 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.91 -43.56 78.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.383 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 15' ' ' ALA . 35.4 m -64.1 -28.31 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.52 0.2 . . . . 0.0 111.513 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 21.1 mm-40 -53.59 -42.7 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' CD ' ' H ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -62.2 -51.39 68.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.897 0.856 . . . . 0.0 109.421 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 14.0 mptt -56.98 -31.09 64.68 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.255 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.07 -21.16 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.044 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -36.16 80.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.606 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 30.8 ptt180 -67.71 -31.94 72.23 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.44 90.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.028 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 29' ' ' VAL . 75.6 mt-30 -60.77 -42.46 97.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.406 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 32.6 mt-10 -65.59 -30.73 71.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 61.4 tttp -75.57 -43.08 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 26' ' ' GLN . 31.5 m -62.44 -39.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.579 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 3.7 pp -62.9 -27.99 69.74 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.252 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 92.0 mt-30 -60.94 -28.76 69.2 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.962 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 12.8 ptmt -73.99 -23.84 59.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.98 0.419 . . . . 0.0 110.198 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.92 -60.42 2.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.96 -179.782 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.841 0.353 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.84 179.88 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 51.18 -98.19 0.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.585 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 72.0 mtm 39.69 77.07 0.05 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.885 0.374 . . . . 0.0 111.466 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.18 23.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.411 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.48 ' HA ' HG22 ' A' ' 9' ' ' VAL . 7.0 m 51.75 22.44 1.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.84 0.353 . . . . 0.0 111.34 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -83.16 -52.18 6.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.271 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.68 -38.38 57.09 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.976 -0.631 . . . . 0.0 113.428 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 6' ' ' SER . 31.2 m -71.07 -31.51 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.8 m -86.82 -62.61 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.248 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.83 -12.62 11.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.312 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.94 -55.1 9.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.798 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.77 -21.11 66.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.07 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.409 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 47.5 mm -68.78 -43.87 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.821 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.48 -51.32 65.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.933 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -61.39 -35.19 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.76 -48.62 63.25 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.573 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' HA ' ' HZ3' ' A' ' 21' ' ' LYS . 34.4 m -66.52 -27.04 39.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.901 0.381 . . . . 0.0 111.381 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.41 -50.47 65.1 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -62.01 -25.0 67.39 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.322 -178.605 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -71.18 -44.35 65.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.484 ' HG ' ' HD2' ' A' ' 21' ' ' LYS . 96.0 mt -68.31 -28.45 67.18 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -67.52 -46.88 71.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.384 179.335 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -68.1 -33.36 74.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.085 0.469 . . . . 0.0 109.83 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.49 93.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.086 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.505 ' O ' HG22 ' A' ' 29' ' ' VAL . 88.3 mt-30 -58.24 -45.46 87.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.0 mt-10 -65.79 -29.09 69.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.598 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 30.9 ttmt -75.2 -43.32 52.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.078 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 26' ' ' GLN . 34.8 m -62.07 -39.28 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 4.0 pp -62.59 -32.06 72.98 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.907 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 92.7 mt-30 -61.76 -28.54 69.52 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -72.42 -29.05 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.281 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -81.74 -66.44 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.937 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 -0.052 0 CA-C-O 121.151 0.501 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -62.55 -35.27 78.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.119 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -68.87 -48.42 63.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.858 -178.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.96 -32.23 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.011 0.434 . . . . 0.0 110.152 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -55.8 -39.64 71.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.567 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 8.2 mmmm -60.87 -39.16 88.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.212 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -32.28 73.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.053 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.02 -39.82 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.499 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -33.9 75.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -68.29 -37.35 80.56 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.993 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -59.02 -40.94 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.433 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.62 ' O ' HG22 ' A' ' 29' ' ' VAL . 43.2 mt-30 -61.34 -49.04 78.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.318 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 30' ' ' LEU . 11.1 mm-40 -66.72 -29.68 69.73 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.112 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.53 -40.48 63.97 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 26' ' ' GLN . 31.4 m -59.31 -31.95 47.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.739 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 27' ' ' GLU . 22.8 mt -57.55 -30.11 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.161 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.6 -29.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.212 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -77.21 -43.19 34.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.677 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.43 -69.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.749 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.896 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 121.033 0.444 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.7 t -59.79 -35.18 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.899 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 5.1 m-80 -70.41 -46.17 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.029 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 15' ' ' ALA . 34.6 m -64.84 -30.43 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.831 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 68.0 mm-40 -55.82 -43.63 77.11 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.338 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' O ' HG22 ' A' ' 23' ' ' THR . 15.5 mmmt -57.41 -43.72 83.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.338 0.59 . . . . 0.0 109.689 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.966 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -81.91 -20.74 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.402 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -65.64 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.035 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -67.2 -47.82 69.76 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.96 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.245 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.596 ' O ' HG22 ' A' ' 29' ' ' VAL . 42.3 mt-30 -59.87 -46.46 89.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.692 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 30' ' ' LEU . 41.1 mt-10 -67.35 -29.7 69.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.911 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -73.01 -42.06 63.62 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 26' ' ' GLN . 28.8 m -58.92 -31.81 46.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.597 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 27' ' ' GLU . 32.3 mt -57.41 -33.47 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -63.64 -27.33 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -75.93 -48.59 20.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.591 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mt -80.68 -72.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.917 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.962 0.41 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -61.08 -35.55 77.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 26.6 m-20 -70.67 -49.26 49.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.552 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.05 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -54.2 -39.93 67.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 13.3 mmmt -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.5 mttt -70.57 -31.22 68.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.335 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.0 -15.79 40.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -66.51 -35.35 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.18 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 28.3 ptt180 -68.52 -33.97 75.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.61 90.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.944 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 29' ' ' VAL . 25.8 mt-30 -61.13 -44.45 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.68 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HA ' HD12 ' A' ' 30' ' ' LEU . 31.2 mt-10 -67.91 -30.02 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -72.11 -43.35 64.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.989 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 26' ' ' GLN . 30.3 m -58.96 -32.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.637 0.256 . . . . 0.0 110.756 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 27' ' ' GLU . 24.5 mt -58.27 -31.08 67.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 109.919 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.66 -32.17 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.732 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -77.38 -43.27 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.71 -71.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.882 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.14 0.495 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.8 t -63.32 -34.93 78.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.406 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.446 HD22 ' N ' ' A' ' 17' ' ' ASN . 1.1 m-80 -68.26 -45.73 72.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.516 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.569 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 33.2 m -67.67 -33.35 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -50.61 70.39 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.761 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.581 ' C ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.13 -25.02 66.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.618 0.247 . . . . 0.0 111.456 -179.402 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 73.4 mttt -71.07 -31.45 67.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.041 0.448 . . . . 0.0 110.545 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.41 -16.29 43.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -64.37 -32.33 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.56 -36.69 84.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.276 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.33 88.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.493 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.569 ' O ' HG22 ' A' ' 29' ' ' VAL . 25.6 mt-30 -60.93 -45.79 93.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.848 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 30' ' ' LEU . 30.4 mt-10 -67.66 -29.69 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -71.68 -43.11 66.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.934 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 26' ' ' GLN . 27.8 m -59.38 -31.87 47.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.996 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 27' ' ' GLU . 25.1 mt -58.36 -33.81 69.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.111 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.75 -27.32 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.636 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -73.2 -45.18 57.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.73 -68.44 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.049 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 121.039 0.447 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 m -63.74 -35.33 80.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.401 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -71.68 -39.34 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.025 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.535 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 30.2 m -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.355 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 14.9 mm100 -55.7 -34.72 65.33 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmmm -64.11 -39.03 93.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.37 -31.07 66.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.543 178.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 21' ' ' LYS . 3.9 tp -69.09 -36.08 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.179 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -66.22 -31.69 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.254 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.73 -32.22 73.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.834 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.38 87.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.226 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.616 ' N ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER -60.42 -46.43 90.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.5 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HA ' HD12 ' A' ' 30' ' ' LEU . 10.2 mm-40 -67.64 -29.74 69.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HA ' HE21 ' A' ' 31' ' ' GLN . 84.7 tttt -71.58 -42.96 67.12 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 26' ' ' GLN . 29.8 m -59.02 -32.09 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.638 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 27' ' ' GLU . 35.1 mt -56.74 -30.33 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.097 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.443 HE21 ' HA ' ' A' ' 28' ' ' LYS . 44.2 mt-30 -59.32 -34.87 72.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -77.99 -41.21 36.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.462 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 33' ' ' LEU . 3.6 mm? -80.0 -81.9 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.965 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.606 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 C--O 1.227 -0.09 0 CA-C-O 120.928 0.394 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 t -62.22 -34.93 77.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 0.0 110.522 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 74.8 m-20 -71.09 -40.16 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.597 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 15' ' ' ALA . 28.4 m -65.65 -30.04 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.249 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 31.2 mm-40 -54.89 -39.5 68.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.849 0.357 . . . . 0.0 110.727 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.575 ' O ' HG22 ' A' ' 23' ' ' THR . 7.0 mmmm -61.15 -37.92 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.17 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' NZ ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.28 -32.1 68.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.109 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.83 -33.74 76.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.41 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -64.69 -32.36 73.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -66.81 -43.21 84.4 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.942 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.21 74.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.141 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 29' ' ' VAL . 8.6 mt-30 -60.87 -45.1 95.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.713 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.518 ' HA ' HD12 ' A' ' 30' ' ' LEU . 30.5 mt-10 -67.62 -30.79 70.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.571 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.92 -43.18 62.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.009 -179.443 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 26' ' ' GLN . 16.7 m -58.99 -31.52 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.621 0.248 . . . . 0.0 110.651 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 27' ' ' GLU . 39.1 mt -56.63 -35.25 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.088 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.561 HE21 ' HA ' ' A' ' 28' ' ' LYS . 49.0 mt-30 -63.2 -28.94 70.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.727 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -74.47 -45.4 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.51 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 mt -81.0 -71.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.945 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.772 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 C--O 1.227 -0.103 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -63.16 -35.19 79.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.529 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -73.33 -25.79 60.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.6 m -62.67 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.594 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.486 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 3.3 tt0 -55.84 -38.25 69.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.976 0.417 . . . . 0.0 110.132 178.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmpt? -59.33 -43.03 92.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -31.46 67.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.717 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . 4.3 tp -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.859 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -67.57 -32.18 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.485 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -64.95 -44.16 90.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.86 85.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.115 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.462 ' O ' HG22 ' A' ' 29' ' ' VAL . 10.4 mt-30 -62.23 -49.05 77.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.372 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.5 pt-20 -65.49 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.83 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.14 -42.52 59.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.111 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 15.9 m -59.68 -31.62 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 110.743 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 27' ' ' GLU . 30.4 mt -54.89 -26.63 37.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.002 0.43 . . . . 0.0 109.915 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.24 -39.18 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.351 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -77.32 -33.96 55.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.781 0.324 . . . . 0.0 111.026 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 29' ' ' VAL . 32.1 mt -82.84 -67.96 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 110.823 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.274 -0.87 . . . . 0.0 111.038 -179.723 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 121.094 0.474 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -63.99 -36.08 82.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.183 0.516 . . . . 0.0 110.966 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 13.1 m-80 -71.76 -38.29 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.885 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 15' ' ' ALA . 33.7 m -64.65 -32.33 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.19 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 25.8 mt-30 -55.85 -39.28 71.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.866 0.365 . . . . 0.0 110.288 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' HG22 ' A' ' 23' ' ' THR . 18.8 mmmt -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.482 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -31.52 67.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.69 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . 3.1 tp -65.06 -42.86 93.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.724 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -68.12 -31.02 70.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 0.0 110.329 179.336 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -60.68 -35.66 76.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.276 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.84 87.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.39 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.501 ' O ' HG22 ' A' ' 29' ' ' VAL . 23.6 mt-30 -61.59 -46.63 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.914 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.5 mm-40 -67.48 -29.58 69.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HA ' HE21 ' A' ' 31' ' ' GLN . 1.7 tttp -71.7 -43.8 65.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.041 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 26' ' ' GLN . 18.1 m -59.51 -31.83 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.678 0.275 . . . . 0.0 110.671 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 27' ' ' GLU . 43.9 mt -56.78 -28.43 61.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.979 0.419 . . . . 0.0 110.232 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 28' ' ' LYS . 47.5 mt-30 -70.05 -31.92 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.739 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.45 -41.41 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.75 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.48 -65.93 0.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.563 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 C--O 1.226 -0.153 0 CA-C-O 121.132 0.491 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -63.39 -35.26 79.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.908 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.91 -43.56 78.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.383 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 15' ' ' ALA . 35.4 m -64.1 -28.31 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.52 0.2 . . . . 0.0 111.513 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 21.1 mm-40 -53.59 -42.7 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' CD ' ' H ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -62.2 -51.39 68.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.897 0.856 . . . . 0.0 109.421 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 14.0 mptt -56.98 -31.09 64.68 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.255 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.07 -21.16 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.044 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -36.16 80.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.606 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 30.8 ptt180 -67.71 -31.94 72.23 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.44 90.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.028 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 29' ' ' VAL . 75.6 mt-30 -60.77 -42.46 97.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.406 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 32.6 mt-10 -65.59 -30.73 71.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 61.4 tttp -75.57 -43.08 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 26' ' ' GLN . 31.5 m -62.44 -39.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.579 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 3.7 pp -62.9 -27.99 69.74 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.252 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.0 mt-30 -60.94 -28.76 69.2 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.962 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 12.8 ptmt -73.99 -23.84 59.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.98 0.419 . . . . 0.0 110.198 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.92 -60.42 2.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.96 -179.782 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.053 0.454 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -61.39 -35.19 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.76 -48.62 63.25 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.573 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' HA ' ' HZ3' ' A' ' 21' ' ' LYS . 34.4 m -66.52 -27.04 39.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.901 0.381 . . . . 0.0 111.381 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.41 -50.47 65.1 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -62.01 -25.0 67.39 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.322 -178.605 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -71.18 -44.35 65.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.484 ' HG ' ' HD2' ' A' ' 21' ' ' LYS . 96.0 mt -68.31 -28.45 67.18 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -67.52 -46.88 71.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.384 179.335 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -68.1 -33.36 74.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.085 0.469 . . . . 0.0 109.83 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.49 93.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.086 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.505 ' O ' HG22 ' A' ' 29' ' ' VAL . 27.3 mt-30 -58.24 -45.46 87.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.0 mt-10 -65.79 -29.09 69.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.598 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 30.9 ttmt -75.2 -43.32 52.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.078 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 26' ' ' GLN . 34.8 m -62.07 -39.28 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 4.0 pp -62.59 -32.06 72.98 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.907 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.8 mt-30 -61.76 -28.54 69.52 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -72.42 -29.05 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.281 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -81.74 -66.44 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.937 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.13 -163.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -74.24 -45.1 50.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.8 mtm 43.75 60.83 2.51 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.269 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.87 -114.87 0.18 Allowed Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.653 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' HA ' HG22 ' A' ' 9' ' ' VAL . 34.0 m -76.11 -1.0 23.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 111.355 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -81.28 -54.07 5.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.595 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.51 -35.77 59.34 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.531 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 6' ' ' SER . 21.5 m -71.25 -27.46 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.631 0.253 . . . . 0.0 111.589 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.7 m -90.39 -62.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.391 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 14' ' ' ILE . . . -58.04 -25.88 61.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.319 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.98 -30.66 72.19 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.716 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HD2' HD12 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -68.48 -37.27 79.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.878 179.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 11' ' ' ALA . 3.9 mp -66.85 -41.4 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.89 -51.99 65.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.151 0.501 . . . . 0.0 110.855 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -62.55 -35.27 78.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.119 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -68.87 -48.42 63.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.858 -178.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.96 -32.23 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.011 0.434 . . . . 0.0 110.152 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -55.8 -39.64 71.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.567 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 8.2 mmmm -60.87 -39.16 88.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.212 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -32.28 73.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.053 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.02 -39.82 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.499 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -33.9 75.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -68.29 -37.35 80.56 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.993 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -59.02 -40.94 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.433 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.62 ' O ' HG22 ' A' ' 29' ' ' VAL . 43.2 mt-30 -61.34 -49.04 78.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.318 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 30' ' ' LEU . 11.1 mm-40 -66.72 -29.68 69.73 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.112 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.53 -40.48 63.97 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 26' ' ' GLN . 31.4 m -59.31 -31.95 47.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.739 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 27' ' ' GLU . 22.8 mt -57.55 -30.11 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.161 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.6 -29.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.212 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -77.21 -43.19 34.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.677 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.43 -69.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.749 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.896 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.67 84.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.415 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 45.42 28.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.619 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.0 mtt 47.17 -155.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' A' ' 7' ' ' LYS . . . -161.64 107.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.504 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t 67.86 -2.96 1.27 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.95 0.405 . . . . 0.0 110.722 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 34.1 mmtp -82.89 -34.4 26.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.017 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.72 -44.62 38.32 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.358 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.46 -40.34 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -96.55 -65.22 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -64.05 -1.8 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.654 0.264 . . . . 0.0 111.564 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.03 -45.16 74.42 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.812 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -32.15 72.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.732 0.301 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mm -67.44 -39.4 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.615 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . -54.15 -51.33 64.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.93 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.7 t -59.79 -35.18 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.899 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 5.1 m-80 -70.41 -46.17 64.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.029 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 15' ' ' ALA . 34.6 m -64.84 -30.43 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.831 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 68.0 mm-40 -55.82 -43.63 77.11 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.338 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' O ' HG22 ' A' ' 23' ' ' THR . 15.5 mmmt -57.41 -43.72 83.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.338 0.59 . . . . 0.0 109.689 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.966 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -81.91 -20.74 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.402 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -65.64 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.035 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -67.2 -47.82 69.76 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.96 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.245 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.596 ' O ' HG22 ' A' ' 29' ' ' VAL . 42.3 mt-30 -59.87 -46.46 89.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.692 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 30' ' ' LEU . 41.1 mt-10 -67.35 -29.7 69.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.911 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -73.01 -42.06 63.62 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 26' ' ' GLN . 28.8 m -58.92 -31.81 46.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.597 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 27' ' ' GLU . 32.3 mt -57.41 -33.47 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -63.64 -27.33 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -75.93 -48.59 20.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.591 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mt -80.68 -72.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.917 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.77 -38.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -74.8 -158.47 0.07 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -169.21 30.73 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.043 0.449 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.14 46.32 2.95 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.594 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 t 60.0 9.99 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.908 0.385 . . . . 0.0 111.054 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -80.78 -35.89 32.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.681 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.54 -44.05 42.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.959 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.62 -38.01 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -102.5 -65.49 0.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 14' ' ' ILE . . . -64.23 0.4 0.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.736 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.48 79.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.127 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.54 ' HG3' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -67.41 -34.57 77.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.827 0.313 . . . . 0.0 110.944 -179.656 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 11' ' ' ALA . 5.2 mp -68.69 -38.12 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.633 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.44 -48.25 71.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.962 0.41 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -61.08 -35.55 77.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 26.6 m-20 -70.67 -49.26 49.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.552 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.05 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -54.2 -39.93 67.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 13.3 mmmt -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.5 mttt -70.57 -31.22 68.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.335 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.0 -15.79 40.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -66.51 -35.35 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.18 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 28.3 ptt180 -68.52 -33.97 75.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.61 90.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.944 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 29' ' ' VAL . 25.8 mt-30 -61.13 -44.45 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.68 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HA ' HD12 ' A' ' 30' ' ' LEU . 31.2 mt-10 -67.91 -30.02 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -72.11 -43.35 64.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.989 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 26' ' ' GLN . 30.3 m -58.96 -32.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.637 0.256 . . . . 0.0 110.756 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 27' ' ' GLU . 24.5 mt -58.27 -31.08 67.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 109.919 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.66 -32.17 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.732 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -77.38 -43.27 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.71 -71.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.882 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.743 0.306 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 3' ' ' GLU . . . -164.18 75.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' HB3' ' H ' ' A' ' 4' ' ' MET . 12.5 mm-40 -160.16 -149.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.332 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.495 ' H ' ' HB3' ' A' ' 3' ' ' GLU . 61.8 mtt 51.25 61.16 3.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.25 27.28 0.25 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.546 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 49.74 23.14 0.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.925 0.393 . . . . 0.0 111.087 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -84.21 -70.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.599 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.63 -34.43 59.89 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.843 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.3 m -71.69 -29.62 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.0 m -95.09 -58.16 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.53 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.63 ' HA ' HD13 ' A' ' 14' ' ' ILE . . . -61.33 -1.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.833 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.23 -46.35 65.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.61 ' HG3' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -68.39 -34.6 76.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.591 0.234 . . . . 0.0 110.897 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.63 HD13 ' HA ' ' A' ' 11' ' ' ALA . 5.0 mp -67.36 -37.6 79.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.581 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -55.02 -46.95 75.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.14 0.495 . . . . 0.0 110.428 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.8 t -63.32 -34.93 78.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.406 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.446 HD22 ' N ' ' A' ' 17' ' ' ASN . 1.1 m-80 -68.26 -45.73 72.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.516 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.569 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 33.2 m -67.67 -33.35 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -50.61 70.39 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.761 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' C ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.13 -25.02 66.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.618 0.247 . . . . 0.0 111.456 -179.402 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 73.4 mttt -71.07 -31.45 67.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.041 0.448 . . . . 0.0 110.545 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.41 -16.29 43.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -64.37 -32.33 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.56 -36.69 84.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.276 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.33 88.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.493 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.569 ' O ' HG22 ' A' ' 29' ' ' VAL . 25.6 mt-30 -60.93 -45.79 93.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.848 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 30' ' ' LEU . 30.4 mt-10 -67.66 -29.69 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -71.68 -43.11 66.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.934 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 26' ' ' GLN . 27.8 m -59.38 -31.87 47.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.996 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 27' ' ' GLU . 25.1 mt -58.36 -33.81 69.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.01 0.433 . . . . 0.0 110.111 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.75 -27.32 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.636 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -73.2 -45.18 57.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.73 -68.44 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.049 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.29 -59.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.234 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.36 179.83 4.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.7 ptp -170.86 38.15 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.25 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 7' ' ' LYS . . . -160.54 139.15 5.9 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.076 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.465 ' HA ' HG22 ' A' ' 9' ' ' VAL . 2.8 p -72.97 8.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 0.0 111.005 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -79.42 -42.61 25.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.76 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.86 -34.78 58.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.812 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 6' ' ' SER . 29.0 m -72.54 -33.05 43.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.689 0.28 . . . . 0.0 111.527 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.5 m -75.46 -61.91 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.247 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.63 -25.37 64.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.312 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.29 -27.83 73.57 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.286 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -68.37 -42.83 78.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.964 0.411 . . . . 0.0 110.726 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 14' ' ' ILE . 4.8 mp -68.2 -38.05 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.246 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -56.08 -53.29 58.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 m -63.74 -35.33 80.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.401 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -71.68 -39.34 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.025 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.535 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 30.2 m -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.355 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 14.9 mm100 -55.7 -34.72 65.33 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmmm -64.11 -39.03 93.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.37 -31.07 66.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.543 178.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 21' ' ' LYS . 3.9 tp -69.09 -36.08 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.179 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -66.22 -31.69 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.254 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.73 -32.22 73.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.834 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.38 87.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.226 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.616 ' N ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER -60.42 -46.43 90.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.5 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HA ' HD12 ' A' ' 30' ' ' LEU . 10.2 mm-40 -67.64 -29.74 69.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HA ' HE21 ' A' ' 31' ' ' GLN . 84.7 tttt -71.58 -42.96 67.12 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 26' ' ' GLN . 29.8 m -59.02 -32.09 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.638 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 27' ' ' GLU . 35.1 mt -56.74 -30.33 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.097 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.443 HE21 ' HA ' ' A' ' 28' ' ' LYS . 44.2 mt-30 -59.32 -34.87 72.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -77.99 -41.21 36.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.462 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 33' ' ' LEU . 3.6 mm? -80.0 -81.9 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.965 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mmt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.726 0.298 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.64 -161.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.958 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.36 -29.11 57.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.2 mtt 49.21 25.52 1.23 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.418 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.29 -58.96 4.89 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.894 -0.594 . . . . 0.0 113.459 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -159.96 -0.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 0.0 110.042 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -79.85 -24.79 41.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.045 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.21 -45.56 39.17 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.301 -0.952 . . . . 0.0 111.753 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.7 m -76.04 -41.91 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.77 0.319 . . . . 0.0 111.49 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.5 m -60.93 -50.95 71.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.5 -16.83 17.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.03 -35.32 71.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.571 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -46.71 70.71 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.731 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.489 ' H ' HD12 ' A' ' 14' ' ' ILE . 4.2 mp -66.04 -33.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.775 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.606 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -52.79 -48.24 66.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.928 0.394 . . . . 0.0 110.991 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 t -62.22 -34.93 77.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 0.0 110.522 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 74.8 m-20 -71.09 -40.16 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.597 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 15' ' ' ALA . 28.4 m -65.65 -30.04 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.249 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 31.2 mm-40 -54.89 -39.5 68.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.849 0.357 . . . . 0.0 110.727 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.575 ' O ' HG22 ' A' ' 23' ' ' THR . 7.0 mmmm -61.15 -37.92 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.17 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' NZ ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -71.28 -32.1 68.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.109 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.83 -33.74 76.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.41 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -64.69 -32.36 73.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -66.81 -43.21 84.4 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.942 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.21 74.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.141 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 29' ' ' VAL . 8.6 mt-30 -60.87 -45.1 95.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.713 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.518 ' HA ' HD12 ' A' ' 30' ' ' LEU . 30.5 mt-10 -67.62 -30.79 70.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.571 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.92 -43.18 62.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.009 -179.443 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 26' ' ' GLN . 16.7 m -58.99 -31.52 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.621 0.248 . . . . 0.0 110.651 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 27' ' ' GLU . 39.1 mt -56.63 -35.25 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.088 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.561 HE21 ' HA ' ' A' ' 28' ' ' LYS . 49.0 mt-30 -63.2 -28.94 70.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.727 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -74.47 -45.4 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.51 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 mt -81.0 -71.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.945 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.22 98.76 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.88 -43.85 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.5 mtt 38.25 49.96 1.36 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.619 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.7 -25.36 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.182 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.18 9.49 0.12 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -79.39 -32.43 43.03 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.015 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.29 -41.84 51.68 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.294 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.64 -36.75 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.294 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 77.1 m -66.92 -47.42 71.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.05 -9.81 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.259 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.19 -47.02 47.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.324 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.585 ' HG3' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -68.55 -34.06 75.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.64 0.257 . . . . 0.0 111.037 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.585 HD12 ' HG3' ' A' ' 13' ' ' LYS . 3.4 mp -63.42 -34.77 69.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.747 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.772 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -53.38 -45.45 69.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -63.16 -35.19 79.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.529 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -73.33 -25.79 60.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.6 m -62.67 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.594 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.486 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 3.3 tt0 -55.84 -38.25 69.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.976 0.417 . . . . 0.0 110.132 178.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' O ' HG22 ' A' ' 23' ' ' THR . 8.2 mmpt? -59.33 -43.03 92.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -31.46 67.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.717 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . 4.3 tp -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.859 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -67.57 -32.18 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.485 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -64.95 -44.16 90.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.86 85.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.115 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.462 ' O ' HG22 ' A' ' 29' ' ' VAL . 10.4 mt-30 -62.23 -49.05 77.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.372 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.5 pt-20 -65.49 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.83 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.14 -42.52 59.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.111 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 15.9 m -59.68 -31.62 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 110.743 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 27' ' ' GLU . 30.4 mt -54.89 -26.63 37.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.002 0.43 . . . . 0.0 109.915 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.24 -39.18 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.351 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -77.32 -33.96 55.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.781 0.324 . . . . 0.0 111.026 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 29' ' ' VAL . 32.1 mt -82.84 -67.96 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 110.823 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.274 -0.87 . . . . 0.0 111.038 -179.723 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.721 0.296 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.0 83.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.423 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' C ' ' H ' ' A' ' 5' ' ' GLY . 32.5 mt-10 44.33 99.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.125 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.1 mtm -72.61 17.83 0.11 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.596 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 3' ' ' GLU . . . 82.39 -138.71 18.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.83 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.55 ' HA ' HG22 ' A' ' 9' ' ' VAL . 3.4 p -76.53 5.28 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.552 0.215 . . . . 0.0 111.488 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.1 -41.1 62.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.113 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.1 -48.25 20.74 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.147 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 6' ' ' SER . 4.4 m -76.3 2.26 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.037 0.446 . . . . 0.0 111.702 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -45.65 -61.93 1.5 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.449 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HA ' HD13 ' A' ' 14' ' ' ILE . . . -59.66 -22.25 61.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.58 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.54 -31.3 76.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HD2' HD12 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -68.12 -39.55 82.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.844 0.355 . . . . 0.0 110.846 179.53 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 14' ' ' ILE . 4.1 mp -67.92 -34.13 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.344 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -53.13 -46.88 68.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.094 0.474 . . . . 0.0 111.073 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -63.99 -36.08 82.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.183 0.516 . . . . 0.0 110.966 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 13.1 m-80 -71.76 -38.29 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.885 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 15' ' ' ALA . 33.7 m -64.65 -32.33 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.19 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 25.8 mt-30 -55.85 -39.28 71.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.866 0.365 . . . . 0.0 110.288 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' HG22 ' A' ' 23' ' ' THR . 18.8 mmmt -60.02 -41.41 92.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.482 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -31.52 67.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.69 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . 3.1 tp -65.06 -42.86 93.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.724 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -68.12 -31.02 70.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 0.0 110.329 179.336 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -60.68 -35.66 76.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.276 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.84 87.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.39 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.501 ' O ' HG22 ' A' ' 29' ' ' VAL . 23.6 mt-30 -61.59 -46.63 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.914 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.5 mm-40 -67.48 -29.58 69.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HA ' HE21 ' A' ' 31' ' ' GLN . 1.7 tttp -71.7 -43.8 65.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.041 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 26' ' ' GLN . 18.1 m -59.51 -31.83 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.678 0.275 . . . . 0.0 110.671 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 27' ' ' GLU . 43.9 mt -56.78 -28.43 61.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.979 0.419 . . . . 0.0 110.232 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 28' ' ' LYS . 47.5 mt-30 -70.05 -31.92 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.739 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.45 -41.41 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.75 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -80.48 -65.93 0.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.976 0.417 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 4' ' ' MET . . . -78.96 98.85 6.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.515 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 56.21 -82.73 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.902 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' ALA . 57.7 mtm 68.55 102.0 0.05 Allowed 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.859 0.362 . . . . 0.0 110.958 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.28 -101.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -75.3 -6.06 47.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.152 0.501 . . . . 0.0 110.777 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 34.1 mmtp -80.97 -31.78 34.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.06 -37.01 60.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.519 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.65 -31.83 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.5 m -101.52 -65.09 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -62.15 -18.65 61.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.704 0.288 . . . . 0.0 111.15 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.97 -28.81 73.33 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.228 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -67.72 -43.41 80.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.03 0.443 . . . . 0.0 110.354 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mm -68.62 -38.86 79.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.89 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.563 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -54.65 -49.92 69.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.826 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -63.39 -35.26 79.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.908 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.91 -43.56 78.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.383 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 15' ' ' ALA . 35.4 m -64.1 -28.31 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.52 0.2 . . . . 0.0 111.513 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 21.1 mm-40 -53.59 -42.7 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' CD ' ' H ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -62.2 -51.39 68.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.897 0.856 . . . . 0.0 109.421 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 14.0 mptt -56.98 -31.09 64.68 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.255 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.07 -21.16 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.044 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -36.16 80.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.606 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 30.8 ptt180 -67.71 -31.94 72.23 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.44 90.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.028 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 29' ' ' VAL . 75.6 mt-30 -60.77 -42.46 97.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.406 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 32.6 mt-10 -65.59 -30.73 71.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 61.4 tttp -75.57 -43.08 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 26' ' ' GLN . 31.5 m -62.44 -39.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.579 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 3.7 pp -62.9 -27.99 69.74 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.252 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.0 mt-30 -60.94 -28.76 69.2 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.962 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 12.8 ptmt -73.99 -23.84 59.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.98 0.419 . . . . 0.0 110.198 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.92 -60.42 2.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.96 -179.782 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.841 0.353 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.84 179.88 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 51.18 -98.19 0.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.585 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 72.0 mtm 39.69 77.07 0.05 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.885 0.374 . . . . 0.0 111.466 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.18 23.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.411 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.48 ' HA ' HG22 ' A' ' 9' ' ' VAL . 7.0 m 51.75 22.44 1.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.84 0.353 . . . . 0.0 111.34 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -83.16 -52.18 6.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.271 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.68 -38.38 57.09 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.976 -0.631 . . . . 0.0 113.428 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 6' ' ' SER . 31.2 m -71.07 -31.51 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.8 m -86.82 -62.61 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.248 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.83 -12.62 11.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.312 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.94 -55.1 9.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.798 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.77 -21.11 66.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.07 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.409 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 47.5 mm -68.78 -43.87 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.821 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.48 -51.32 65.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.933 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -61.39 -35.19 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.76 -48.62 63.25 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.573 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' HA ' ' HZ3' ' A' ' 21' ' ' LYS . 34.4 m -66.52 -27.04 39.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.901 0.381 . . . . 0.0 111.381 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.41 -50.47 65.1 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -62.01 -25.0 67.39 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.322 -178.605 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -71.18 -44.35 65.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.484 ' HG ' ' HD2' ' A' ' 21' ' ' LYS . 96.0 mt -68.31 -28.45 67.18 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -67.52 -46.88 71.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.384 179.335 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -68.1 -33.36 74.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.085 0.469 . . . . 0.0 109.83 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.49 93.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.086 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.505 ' O ' HG22 ' A' ' 29' ' ' VAL . 27.3 mt-30 -58.24 -45.46 87.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.0 mt-10 -65.79 -29.09 69.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.598 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 30.9 ttmt -75.2 -43.32 52.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.078 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 26' ' ' GLN . 34.8 m -62.07 -39.28 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 27' ' ' GLU . 4.0 pp -62.59 -32.06 72.98 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.907 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.8 mt-30 -61.76 -28.54 69.52 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -72.42 -29.05 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.281 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -81.74 -66.44 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.937 -179.933 . . . . . . . . 0 0 . 1 stop_ save_